texlive[50983] Master/texmf-dist: chemfig (18apr19)
commits+karl at tug.org
commits+karl at tug.org
Sat May 4 23:12:18 CEST 2019
Revision: 50983
http://tug.org/svn/texlive?view=revision&revision=50983
Author: karl
Date: 2019-05-04 23:12:17 +0200 (Sat, 04 May 2019)
Log Message:
-----------
chemfig (18apr19)
Modified Paths:
--------------
trunk/Master/texmf-dist/doc/generic/chemfig/README
trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-en.pdf
trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-en.tex
trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-fr.pdf
trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-fr.tex
trunk/Master/texmf-dist/tex/generic/chemfig/chemfig.sty
trunk/Master/texmf-dist/tex/generic/chemfig/chemfig.tex
trunk/Master/texmf-dist/tex/generic/chemfig/t-chemfig.tex
Modified: trunk/Master/texmf-dist/doc/generic/chemfig/README
===================================================================
--- trunk/Master/texmf-dist/doc/generic/chemfig/README 2019-05-04 21:11:40 UTC (rev 50982)
+++ trunk/Master/texmf-dist/doc/generic/chemfig/README 2019-05-04 21:12:17 UTC (rev 50983)
@@ -2,9 +2,9 @@
The
Chemfig package
- v1.34
+ v1.4
- 2019/02/23
+ 2019/04/18
___________________________________
Maintainer: Christian Tellechea
@@ -29,4 +29,4 @@
le dessin selon une syntaxe simple, souple et intuitive.
Le dessin est fait avec l'extension tikz. ChemFig fonctionne donc en
-mode dvi ou pdf.
\ No newline at end of file
+mode dvi ou pdf.
Modified: trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-en.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-en.tex
===================================================================
--- trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-en.tex 2019-05-04 21:11:40 UTC (rev 50982)
+++ trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-en.tex 2019-05-04 21:12:17 UTC (rev 50983)
@@ -105,17 +105,18 @@
\endgroup
}
+\begingroup
+ \catcode`\<13 \catcode`\>13
+ \gdef\Verb{\relax\ifmmode\hbox\else\leavevmode\null\fi
+ \bgroup
+ \verb at eol@error \let\do\@makeother \dospecials
+ \verbatim at font\@noligs
+ \catcode`\<13 \catcode`\>13 \def<{\begingroup$\langle$\itshape}\def>{\/$\rangle$\endgroup}%
+ \@ifstar\@sverb\@verb}
+\endgroup
+
\newcommand\falseverb[1]{{\ttfamily\detokenize\expandafter{\string#1}}}
-\long\def\centerverb#1{%
- \def\centerverb at i##1#1{##1\hfill\null\par\egroup}
- \bgroup
- \ttfamily\@noligs
- \parskip3.5pt\par\hfill
- \let\do\@makeother\dospecials
- \@vobeyspaces
- \centerverb at i}
-
\def\CFengdate at i#1/#2/#3\@nil{\number#3\relax\ifnum#3=1 \ier{}\fi\space \ifcase#2 \or january\or february\or march\or april\or may\or june\or july\or august\or september\or october\or november\or december\fi\space#1}
\edef\CFengdate{\expandafter\CFengdate at i\CFdate\@nil}
@@ -152,6 +153,7 @@
\titleformat{\part}[display]{\normalfont\filcenter\sffamily\bfseries}{}{0pt}{\Huge}
\begin{document}
+\topsep=3pt plus5pt minus2pt\relax
\begin{titlepage}
\catcode`!12
\begin{tikzpicture}[remember picture,overlay]
@@ -213,101 +215,48 @@
\setitemize{leftmargin=3em,topsep=0pt,parsep=0pt,itemsep=0pt}
\part{Introduction}
-\section{New in v1.3}
-\subsection{New in 1.33}
-\paragraph{Arguments for submols}
-As of version 1.33, submolecules defined with \verb|\definesubmol| can have arguments, see page~\pageref{definesubmolarg}.
+\section{New in v1.4}
+\subsection{Private char}
+In the code of \CF, the character used in the name of private macros is "\verb|_|" (underscore) and no longer "\verb|@|" (arobe): the prefix of private macros of \CF is "\verb|\CF_|". The majority of \CF users should not be affected by this change, but the development or maintenance of specific codes such as those presented in the "Arrow customization" section on page~\pageref{definearrow} which uses private macros should take this catcode change into account; this will require an \emph{update of macros names} for those who have used private macros from \CF. To allow "\verb|_|" in macro names, we must execute the order "\verb|\catcode`\_=11|" and then, to return to a normal state run "\verb|\catcode`\_=8|".
-\paragraph{Polymer delilmiters}
-The macro \verb|\polymerdelim| allows to draw delimiters on molecules drawn by \CF, see page~\pageref{polymerdelim}.
+\subsection{Char \#}
+All those who program in \TeX{} know the extreme precautions that must be taken before using the "\verb|#|" character. This character is allowed in the code representing the molecule, but for internal operating reasons at \TeX, it will be doubled if the command \verb|\chemfig| is in the argument of a macro (like \verb|\fbox| in the example below). To avoid this doubling, we can write \verb|\#| or use the macro \verb|\CFhash|:
-\subsection{New in 1.3}
-\paragraph{Key and values system}Given the large number of parameters and the number of macros used to specify them, standardization has become necessary, both to simplify the use of \CF and to facilitate the creation of new parameters.
+\exemple{Char \#}/\setchemfig{atom sep=5em}\fboxsep=1pt
+1) \chemfig{A#-B_#-C^#}\par
+2) \fbox{\chemfig{A#-B_#-C^#}}\par
+3) \fbox{\chemfig{A\#-B_\#-C^\#}}\par
+4) \fbox{\chemfig{A\CFhash-B_\CFhash-C^\CFhash}}/
-Most of the settings are now specified \emph{via} the macro \verb|\setchemfig| whose argument is a comma separated list of \chevrons{keys}${}={}$\chevrons{value}. Although still usable for the moment, all macros that specified one or more parameters are now obsolete.
-\begin{center}
- \color{red}
- \textbf{Warning}: all the following obsolete macros will be deleted in a future version.
-\end{center}
-\begingroup
-\spaceskip=0.75em plus7pt minus 7pt
-\verb-\setcrambond-, \verb-\setatomsep-, \verb-\enablefixedbondlength-, \verb-\disablefixedbondlength-, \verb-\setbondoffset-, \verb-\setdoublesep-, \verb-\setangleincrement-, \verb-\setnodestyle-, \verb-\setbondstyle-, \verb-\setlewis-, \verb-\setlewisdist-, \verb-\setstacksep-, \verb-\setcompoundstyle-, \verb-\setarrowdefault-, \verb-\setandsign-, \verb-\setarrowoffset-, \verb-\setcompoundsep-, \verb-\setarrowlabelsep-, \verb-\enablebondjoin-, \verb-\disablebondjoin-, \verb-\schemedebug-.%
-\endgroup
+For the macro \verb|\definesubmol|, the character \verb|#| is also allowed, but its use is more complex because it covers several cases that are examined on page~\pageref{definesubmol}.
-Running them sends a warning message about their obsolescence in the log file.
-
-\paragraph{The syntax of the \texttt{\textbackslash chemfig} macro}
+\subsection{Old macros and new syntax}
+Macros previously used to set the parameters of \CF are abandoned, are no longer defined and therefore, \emph{will result in a compilation error} if they are executed:
\begin{center}
- \color{red}
- The starred version of the macro \verb-\chemfig- is now obsolete and will no longer be supported in a future version.
-\end{center}
-To set a fixed bond length, use the key \CFkey{fixed length} and set it to \CFval{true}.
+ \begin{tabular}{*3l}
+ \verb-\setcrambond-&\verb-\setatomsep-&\verb-\enablefixedbondlength-\\
+ \verb-\disablefixedbondlength-&\verb-\setbondoffset-&\verb-\setdoublesep-\\
+ \verb-\setangleincrement-&\verb-\setnodestyle-&\verb-\setbondstyle-\\
+ \verb-\setlewis-&\verb-\setlewisdist-&\verb-\setstacksep-\\
+ \verb-\setcompoundstyle-&\verb-\setarrowdefault-&\verb-\setandsign-\\
+ \verb-\setarrowoffset-&\verb-\setcompoundsep-&\verb-\setarrowlabelsep-\\
+ \verb-\enablebondjoin-&\verb-\disablebondjoin-&\verb-\schemedebug-
+ \end{tabular}
+ \end{center}
+Now, to set the parameters of \CF we have the choice:
+\begin{itemize}
+ \item the macro \Verb|\setchemfig{<keys>=<values>}| sets the parameters according to the key/value method for the rest of the document;
+ \item the macro \Verb|\chemfig[<keys>=<values>]| receives in its optional argument the parameters valid only for this molecule;
+ \item the macro \verb|\resetchemfig| restores the parameters to their default values.
+\end{itemize}
-On the other hand, the two optional arguments that the macro \verb-\chemfig- accepted, in order to specify parameters for tikz, are also obsolete. From now on, the two keys \CFkey{chemfig style} and \CFkey{atom style} must be preferred, see page~\pageref{arguments.optionnels}.
+The complete list of parameters and their default values is shown page~\pageref{listeparametres}.
-The aim is that in the long run, the macro \verb-\chemfig- accepts only \emph{a single} optional argument containing a list of parameters set via \chevrons{key}${}={}$\chevrons{value}.
-\begin{center}
- \color{red}
- The two optional arguments that the macro \verb-\chemfig- accepts will be removed in a future version.
-\end{center}
+Starred syntax \verb|\chemfig*| is no longer allowed. To specify a constant length of bonds, use the key \CFkey{fixed length} and set it to \CFval{true}, see page~\pageref{longueur.liaison}.
-\paragraph{Keys and their default value}
-The chemfig settings, identified by their \chevrons{keys} and default \chevrons{value} are:
-\begin{center}
-\begin{longtable}{rl}\hline
- \chevrons{clés} & \chevrons{valeurs} par défaut\\\hline\endhead
- \CFparam{chemfig style}
- \CFparam{atom style}
- \CFparam{bond join}
- \CFparam{fixed length}
- \CFparam{cram rectangle}
- \CFparam{cram width}
- \CFparam{cram dash width}
- \CFparam{cram dash sep}
- \CFparam{atom sep}
- \CFparam{bond offset}
- \CFparam{double bond sep}
- \CFparam{angle increment}
- \CFparam{node style}
- \CFparam{bond style}
- \CFparam{lewis | width}
- \CFparam{lewis sep}
- \CFparam{lewis length}
- \CFparam{lewis style}
- \CFparam{lewis dist}
- \CFparam{lewis radius}
- \CFparam{cycle radius coeff}
- \CFparam{stack sep}
- \CFparam{scheme debug}
- \CFparam{compound style}
- \CFparam{compound sep}
- \CFparam{arrow offset}
- \CFparam{arrow angle}
- \CFparam{arrow coeff}
- \CFparam{arrow style}
- \CFparam{arrow double sep}
- \CFparam{arrow double coeff}
- \CFparam{arrow double harpoon}
- \CFparam{arrow label sep}
- \CFparam{arrow head}
- \CFparam{+ sep left}
- \CFparam{+ sep right}
- \CFparam{+ vshift}\hline
-\end{longtable}
-\end{center}
+\subsection{Macros \texttt{\textbackslash lewis} and \texttt{\textbackslash Lewis}}
+These two macros also have a slight syntax change. Their optional argument between brackets is no longer intended to receive the diagonal spacing coefficient, but \Verb|<<key>=values>| so that the parameters can be set for each macro call. See page~\pageref{lewis}.
-The macro \verb|\resetchemfig| can be run at any time to reset all parameters to their default value.
-
-The following \chevrons{parameters} are new and are therefore accessible only \emph{via} the macro \verb|setchemfig|:
-\begin{enumerate}
- \item \CFkey{lewis radius} is the radius of a Lewis decoration disc;
- \item \CFkey{arrow double sep} is the vertical spacing between the double arrows in the reaction schemes;
- \item \CFkey{arrow double coeff} is the shrinkage coefficient of the small compared to the large one for the \verb|<->>| and \verb|<<->| arrows;
- \item \CFkey{arrow double harpoon} is a boolean that specifies whether double arrows should be "harpoon" or not;
- \item \CFkey{cycle radius coeff} represents the shrinkage coefficient of the circle or arc of a circle in the cycles;
- \item \CFkey{arrow head} is the default arrowhead style.
-\end{enumerate}
-
\section{Presenting \protect\CF}
To use this package, start by adding the following code to the preamble:
\begin{itemize}
@@ -318,14 +267,14 @@
In all cases, the \TIKZ package, if not loaded before, is loaded by \CF.
-The most important command for drawing molecules is \verb|\chemfig{<code>}|. The argument \verb|code| is a set of characters describing the structure of the molecule according to the rules which are described in this manual.
+The most important command for drawing molecules is \Verb|\chemfig{<code>}|. The argument \verb|code| is a set of characters describing the structure of the molecule according to the rules which are described in this manual.
-Care has been taken to make it possible to draw the greatest possible number of molecular configurations, while maintaining a simple, flexible, and intuitive syntax. Despite this, the \verb-<code>- which describes the 2D structure of the molecule increases in complexity in proportion to that of the molecule being drawn.
+Care has been taken to make it possible to draw the greatest possible number of molecular configurations, while maintaining a simple, flexible, and intuitive syntax. Despite this, the \Verb-<code>- which describes the 2D structure of the molecule increases in complexity in proportion to that of the molecule being drawn.
The command \verb|\chemfig| draws a molecule using the commands provided by the \TIKZ package, placed inside a \verb|tikzpicture| environment. The choice of \TIKZ implies that:
\begin{itemize}
\item the user has a choice of compilation method: pdf\LaTeX{} can be used equally well in \falseverb{dvi mode} (tex $\longrightarrow$ dvi $\longrightarrow$ ps $\longrightarrow$ pdf) or in \falseverb{pdf mode} (tex $\longrightarrow$ pdf). In effect \TIKZ, via the underlying \falseverb{pgf}, gives identical graphical results in the two modes;
-\item the \falseverb{bounding box} is automatically calculated by \TIKZ and the user need not worry about any overlap with the text. However, care must be taken with alignment when the molecule is drawn in a paragraph. In the following example, we have drawn the \falseverb{bounding box} for the molecule: {\fboxsep0pt \fbox{\chemfig{H_3C-C(-[:-30]OH)=[:30]O}}}. \CF always places the first atom of the molecule on the \falseverb{baseline} of the preceding code.
+\item the \falseverb{bounding box} is automatically calculated by \TIKZ and the user need not worry about any overlap with the text. However, care must be taken with alignment when the molecule is drawn in a paragraph. In the following example, we have drawn the \falseverb{bounding box} for the molecule: {\fboxsep0pt \fbox{\chemfig{H_3C-C(-[:-30]OH)=[:30]O}}}.
\end{itemize}
\section{Acknowledgment}
@@ -337,6 +286,75 @@
\part{Operation of \protect\CF}
This part is devoted to describing the most common features of \CF. The user will find here explanations sufficient to draw most molecules. The presentation of features is done from a theoretical angle, and the goal of this part is not to draw real molecules but to give the user a formal description of the functionality of \CF. The ``Advanced usage'', page~\pageref{utilisation.avancee}, will be more practical and will illustrate advanced features for the most demanding uses. It will also highlight methods of building real molecules, page~\pageref{exemples.commentes}. Finally, the last part will give examples of molecules and the code used to draw them.
+\section{The \texttt{\textbackslash chemfig} macro}
+The macro \verb|\chemfig| has the following syntax
+\begin{center}
+ \Verb|\chemfig[list of <keys>=<values>]{<molecule code>}|
+\end{center}
+The optional argument in square brackets sets the parameters used for this molecule. It should be noted that the parameters are only modified for the current molecule and will be restored to their previous values after the macro has been executed. To permanently modify parameters, the macro \Verb|\setchemfig{<key>=<values>}| should be used.
+
+Here is the complete list of parameters as well as their default values\label{listeparametres}. It should be noted that the \chevrons{keys} from \CFkey{scheme debug} included to the end of the list concern reaction schemes and make no sense in the optional argument of the macro \verb|\chefig| where they are simply ignored:\par
+\leavevmode\hfill
+\begin{minipage}[t]{.45\linewidth}
+ \begin{longtable}{rl}\hline
+ \chevrons{keys} & default \chevrons{values}\\\hline\endhead
+ \CFparam{chemfig style}
+ \CFparam{atom style}
+ \CFparam{bond join}
+ \CFparam{fixed length}
+ \CFparam{cram rectangle}
+ \CFparam{cram width}
+ \CFparam{cram dash width}
+ \CFparam{cram dash sep}
+ \CFparam{atom sep}
+ \CFparam{bond offset}
+ \CFparam{double bond sep}
+ \CFparam{angle increment}
+ \CFparam{node style}
+ \CFparam{bond style}
+ \CFparam{lewis | width}
+ \CFparam{lewis sep}
+ \CFparam{lewis length}
+ \CFparam{lewis style}
+ \CFparam{lewis dist}\hline
+ \end{longtable}
+\end{minipage}\hfill
+\begin{minipage}[t]{.45\linewidth}
+ \begin{longtable}{rl}\hline
+ \chevrons{clés} & \chevrons{valeurs} par défaut\\\hline\endhead
+ \CFparam{lewis radius}
+ \CFparam{lewis diag coeff}
+ \CFparam{cycle radius coeff}
+ \CFparam{stack sep}
+ \CFparam{scheme debug}
+ \CFparam{compound style}
+ \CFparam{compound sep}
+ \CFparam{arrow offset}
+ \CFparam{arrow angle}
+ \CFparam{arrow coeff}
+ \CFparam{arrow style}
+ \CFparam{arrow double sep}
+ \CFparam{arrow double coeff}
+ \CFparam{arrow double harpoon}
+ \CFparam{arrow label sep}
+ \CFparam{arrow head}
+ \CFparam{+ sep left}
+ \CFparam{+ sep right}
+ \CFparam{+ vshift}\hline
+ \end{longtable}
+\end{minipage}\hfill\null\bigbreak
+
+The \Verb|<molecule code>| contains instructions for drawing the molecule according to a syntax that will be explained in this document. There are no restrictions on the characters accepted in the code:
+\begin{itemize}
+ \item all catcode 11 or 12 characters, i. e. upper and lower-case letters, numbers, mathematical operators (\texttt+ \texttt- \texttt* \texttt/ \texttt=), punctuation marks whether active or not (\verb|.| \verb|,| \verb|;| \verb|:| \verb|!| \verb|?| \verb|'| \verb|`| \verb|"| \verb-|-), parenthesis and brackets;
+ \item more special characters such as "\verb|~|", "\verb|#|"\footnote{To avoid that \texttt\# is doubled when the macro \texttt{\textbackslash chemfig} is in the argument of a macro, instead of \texttt\#, the macro \texttt{\textbackslash\#} or the macro \texttt{\textbackslash CFhash} can be used.} as well as "\verb|^|" and "\verb|_|" which have their normal mathematical mode properties;
+ \item spaces, but these are ignored by default because the atoms are composed in mathematical mode;
+ \item the "\verb|{|" and "\verb|}|" braces that have their normal behavior as group markers or macro argument delimiters;
+ \item macros.
+\end{itemize}
+
+In any case, \CF will place \emph{on the current baseline the first atom encountered}, whether it is empty or not. In the examples in this document, the baseline is drawn in light grey.
+
\section{Groups of atoms}
Drawing a molecule consists inherently of connecting groups of atoms with lines. Thus, in the molecule \chemfig{O=O}, there are two groups of atoms, each consisting of a single atom ``O''.
@@ -349,7 +367,7 @@
\renewcommand*\printatom[1]{\fbox{\ensuremath{\mathrm{#1}}}}
\molht{H_3C-C(=[:30]O)(-[:-30]OH)}}
-A space is ignored when at the begining of a group of atoms.
+A space is ignored when at the beginning of a group of atoms.
\section{Different types of bonds}
For \CF, bonds between two atoms are one of nine types, represented by the characters \boxedfalseverb-, \boxedfalseverb=, \boxedfalseverb~, \boxedfalseverb>, \boxedfalseverb<, \boxedfalseverb{>:}, \boxedfalseverb{<:}, \boxedfalseverb{>|} and \boxedfalseverb{<|} :\label{types.liaisons}
@@ -368,27 +386,27 @@
9 &\verb+\chemfig{A<|B}+&\chemfig{A<|B}&left Cram, hollow\\\hline
\end{tabular}
\end{center}
-\label{double bond sep}The \chevrons{key} \verb-\double bond sep=<dim>- adjusts the spacing between the lines in double or triple bonds. This spacing is 2pt by default.
+\label{double bond sep}The \chevrons{key} \Verb-double bond sep=<dim>- adjusts the spacing between the lines in double or triple bonds. This spacing is 2pt by default.
-\label{longueur.liaison}We must understand that when a bond is made between two atoms, these atoms are contained within invisible rectangular boxes. The centres of these two rectangles are separated by an adjustable distance $\Delta$ called the ``interatomic distance''. Furthermore, bonds do not connect to the exact edges of the rectangles: a length $\delta$, also adjustable, separates the edges of the rectangles and the beginning and end of the bond line. The rectangular boxes are made visible in the diagram below to help understanding.
+\label{longueur.liaison}We must understand that when a bond is made between two atoms, these atoms are contained within invisible rectangular boxes. The centers of these two rectangles are separated by an adjustable distance $\Delta$ called the ``interatomic distance''. Furthermore, bonds do not connect to the exact edges of the rectangles: a length $\delta$, also adjustable, separates the edges of the rectangles and the beginning and end of the bond line. The rectangular boxes are made visible in the diagram below to help understanding.
\begin{center}
\begin{tikzpicture}[every node/.style={anchor=base,inner sep=1.5pt,outer sep=0pt,minimum size=0pt},baseline]
\node[draw] at(0,0)(aa){\huge A};
\node[draw]at(4,0)(bb){\huge B};
- \path[shorten <=5pt,shorten >=5pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
+ \path[shorten <=10pt,shorten >=10pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(al){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=5pt]al){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=10pt]al){};
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(bl){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-5pt]bl){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-10pt]bl){};
\draw[blue,dash pattern=on 1pt off 1pt](bl)--([yshift=0.7cm]bl);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-5pt]bl)--([xshift=-5pt,yshift=0.7cm]bl);
- \draw[<->]([yshift=0.6cm]bl.center)--([xshift=-5pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-10pt]bl)--([xshift=-10pt,yshift=0.7cm]bl);
+ \draw[stealth-stealth]([yshift=0.6cm]bl.center)--([xshift=-10pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
\draw[blue,dash pattern=on 1pt off 1pt](al)--([yshift=0.7cm]al);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=5pt]al)--([xshift=5pt,yshift=0.7cm]al);
- \draw[<->]([yshift=0.6cm]al.center)--([xshift=5pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=10pt]al)--([xshift=10pt,yshift=0.7cm]al);
+ \draw[stealth-stealth]([yshift=0.6cm]al.center)--([xshift=10pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
\node[draw,circle,fill,red,minimum size=2pt,inner sep=0pt]at(aa){};
\node[draw,circle,fill,red,minimum size=2pt,inner sep=0pt]at(bb){};
- \draw[<->]([yshift=1cm]aa.center)--([yshift=1cm]bb.center) node [midway,above,draw=none] {$\Delta$} ;
+ \draw[stealth-stealth]([yshift=1cm]aa.center)--([yshift=1cm]bb.center) node [midway,above,draw=none] {$\Delta$} ;
\draw[red,dash pattern=on 2pt off2pt](aa.center)--([yshift=1.1cm]aa.center);
\draw[red,dash pattern=on 2pt off2pt](bb.center)--([yshift=1.1cm]bb.center);
\end{tikzpicture}
@@ -396,21 +414,20 @@
\label{atom sep}The \chevrons{key} \CFkv{atom sep}{dim} adjusts the interatomic distance $\Delta$. This setting, like all other settings, affects all the following molecules.
-\exemple{Interatomic distance}|\setchemfig{atom sep=2em}\chemfig{A-B}\par
-\setchemfig{atom sep=50pt}\chemfig{A-B}|
+\exemple{Interatomic distance}|\chemfig[atom sep=2em]{A-B}\par
+\chemfig[atom sep=50pt]{A-B}|
\label{bond offset}The \chevrons{key} \CFkv{bond offset}{dim} sets the spacing $\delta$ between the bond line and the atom. Its default value is 2pt.
-\exemple{Trimming bonds}|\setchemfig{bond offset=0pt}\chemfig{A-B}\par
- \setchemfig{bond offset=5pt}\chemfig{A-B}|
+\exemple{Trimming bonds}|\chemfig[bond offset=0pt]{A-B}\par
+\chemfig[bond offset=5pt]{A-B}|
If one bond is followed immediately by another, then \CF inserts an empty group \verb-{}-. Around this empty group the separation $\delta$ is zero:
\exemple{Empty groups}/\chemfig{A-B=-=C}/
\label{bond style}The \chevrons{key} \CFkv{bond style}{tikz code} sets the style for all the bonds drawn thereafter. The \CFval{tikz code} is empty by default. To custom a single bond, see page~\pageref{perso-liaisons}.
-\exemple{Style of bonds}/\setchemfig{bond style={line width=1pt,red}}
-\chemfig{A-B=C>|D<E>:F}/
+\exemple{Style of bonds}/\chemfig[bond style={line width=1pt,red}]{A-B=C>|D<E>:F}/
-\label{modif.retrait} The spacing $\delta$ for just one bond can be specified with the character \verb-#-. This character must be placed \emph{immediately} after the bond symbol and has one required argument between parentheses of the form ``\verb-#(<dim1>,<dim2>)-'', where \verb-<dim1>- is the spacing $\delta$ at the beginning of the bond and \verb-<dim2>- is the that at the end. If \verb-<dim2>- is omitted, the spacing at the end of the bond takes the value of $\delta$ in effect at that time. One can see in the example how the shortening, set to 4pt to be more visible, is nullified for the bond arriving at ``B'', then for the one leaving ``B'', and finally for both:
+\label{modif.retrait} The spacing $\delta$ for just one bond can be specified with the character \verb-#-. This character must be placed \emph{immediately} after the bond symbol and has one required argument between parentheses of the form ``\Verb-#(<dim1>,<dim2>)-'', where \Verb-<dim1>- is the spacing $\delta$ at the beginning of the bond and \Verb-<dim2>- is the that at the end. If \Verb-<dim2>- is omitted, the spacing at the end of the bond takes the value of $\delta$ in effect at that time. One can see in the example how the shortening, set to 4pt to be more visible, is nullified for the bond arriving at ``B'', then for the one leaving ``B'', and finally for both:
\begingroup
\catcode`\#12
\exemple{Fine adjustment of bond shortening}/\setchemfig{bond offset=4pt}
@@ -432,10 +449,9 @@
Here is an example where the three dimensions are changed:
-\exemple{Modified Cram bonds}-\setchemfig{cram width=10pt,
- cram dash width=0.4pt,
- cram dash sep=1pt}
-\chemfig{A>B>:C>|D}-
+\exemple{Modified Cram bonds}-\chemfig[cram width=10pt,
+ cram dash width=0.4pt,
+ cram dash sep=1pt]{A>B>:C>|D}-
\section{Bond angle}
Each bond takes an optional argument in brackets. This optional argument can adjust every aspect of a bond, and consists of five optional fields separated by commas. The first of these fields defines the bond angle. Angles increase counterclockwise, and are relative to the horizontal. If the angle field is empty, the angle takes its default value of 0\degres. We will see later how to change this default.
@@ -453,21 +469,20 @@
\exemple{Connecting bonds}/\setchemfig{bond style={line width=3pt}}
\chemfig{-[1]-[7]} et
-\setchemfig{bond join=true}\chemfig{-[1]-[7]}/
+\chemfig[bond join=true]{-[1]-[7]}/
\label{angle increment}The \chevrons{key} \CFkv{angle increment}{angle} sets the default angle used to calculate the angle of a bond:
\exemple{Set the predefined angle}/Default (45) : \chemfig{-[1]-[-1]-[1]-[-1]}
-\setchemfig{angle increment=30}
-Angle of 30 : \chemfig{-[1]-[-1]-[1]-[-1]}/
+Angle of 30 : \chemfig[angle increment=30]{-[1]-[-1]-[1]-[-1]}/
\subsection{Absolute angles}
-If one wishes to specify an angle in degrees relative to the horizontal, then the optional angle field must take this form: \verb-[:<absolute angle>]-. If necessary, the \verb-<absolute angle>- is reduced to the interval $[0,360)$:
+If one wishes to specify an angle in degrees relative to the horizontal, then the optional angle field must take this form: \Verb-[:<absolute angle>]-. If necessary, the \Verb-<absolute angle>- is reduced to the interval $[0,360)$:
\exemple{Absolute angles}/\chemfig{A-[:30]B=[:-75]C-[:10]D-[:90]>|[:60]-[:-20]E-[:0]~[:-75]F}/
\subsection{Relative angles}\label{angle.relatif}
-It is often useful to specify a bond angle relative to the preceding bond. This syntax must be then be used: \verb-[::<relative angle>]-. The sign of the \verb-<relative angle>- can be omitted if it is a \verb-+-.
+It is often useful to specify a bond angle relative to the preceding bond. This syntax must be then be used: \Verb-[::<relative angle>]-. The sign of the \Verb-<relative angle>- can be omitted if it is a \verb-+-.
Here is a molecule where the first bond has an absolute angle of $-5\degres$, and the rest of the bond angles are incremented by 20\degres:
\exemple{Result of relative angles}|\chemfig{A-[:-5]-[::+20]-[::20]B-[::+20]-[::20]C-[::20]}|
@@ -493,20 +508,20 @@
\begin{tikzpicture}[every node/.style={anchor=base,inner sep=1.5pt,outer sep=0pt,minimum size=0pt},baseline]
\node[draw] at(0,0)(aa){\huge A};
\node[draw]at(4,0)(bb){\huge B};
- \path[shorten <=5pt,shorten >=5pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
+ \path[shorten <=10pt,shorten >=10pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(al){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=5pt]al){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=10pt]al){};
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(bl){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-5pt]bl){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-10pt]bl){};
\draw[blue,dash pattern=on 1pt off 1pt](bl)--([yshift=0.7cm]bl);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-5pt]bl)--([xshift=-5pt,yshift=0.7cm]bl);
- \draw[<->]([yshift=0.6cm]bl.center)--([xshift=-5pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-10pt]bl)--([xshift=-10pt,yshift=0.7cm]bl);
+ \draw[stealth-stealth]([yshift=0.6cm]bl.center)--([xshift=-10pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
\draw[blue,dash pattern=on 1pt off 1pt](al)--([yshift=0.7cm]al);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=5pt]al)--([xshift=5pt,yshift=0.7cm]al);
- \draw[<->]([yshift=0.6cm]al.center)--([xshift=5pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=10pt]al)--([xshift=10pt,yshift=0.7cm]al);
+ \draw[stealth-stealth]([yshift=0.6cm]al.center)--([xshift=10pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
\node[draw,circle,fill,red,minimum size=2pt,inner sep=0pt]at(aa){};
\node[draw,circle,fill,red,minimum size=2pt,inner sep=0pt]at(bb){};
- \draw[<->]([yshift=1cm]aa.center)--([yshift=1cm]bb.center) node [midway,above,draw=none] {$\Delta$} ;
+ \draw[stealth-stealth]([yshift=1cm]aa.center)--([yshift=1cm]bb.center) node [midway,above,draw=none] {$\Delta$} ;
\draw[red,dash pattern=on 2pt off2pt](aa.center)--([yshift=1.1cm]aa.center);
\draw[red,dash pattern=on 2pt off2pt](bb.center)--([yshift=1.1cm]bb.center);
\end{tikzpicture}
@@ -514,18 +529,18 @@
\begin{tikzpicture}[every node/.style={anchor=base,inner sep=1.5pt,outer sep=0pt,minimum size=0pt},baseline]
\node[draw] at(0,0)(aa){\huge A};
\node[draw]at(5,0)(bb){\huge B};
- \path[shorten <=5pt,shorten >=5pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
+ \path[shorten <=10pt,shorten >=10pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(al){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=5pt]al){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=10pt]al){};
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(bl){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-5pt]bl){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-10pt]bl){};
\draw[blue,dash pattern=on 1pt off 1pt](bl)--([yshift=0.7cm]bl);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-5pt]bl)--([xshift=-5pt,yshift=0.7cm]bl);
- \draw[<->]([yshift=0.6cm]bl.center)--([xshift=-5pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-10pt]bl)--([xshift=-10pt,yshift=0.7cm]bl);
+ \draw[stealth-stealth]([yshift=0.6cm]bl.center)--([xshift=-10pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
\draw[blue,dash pattern=on 1pt off 1pt](al)--([yshift=0.7cm]al);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=5pt]al)--([xshift=5pt,yshift=0.7cm]al);
- \draw[<->]([yshift=0.6cm]al.center)--([xshift=5pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
- \draw[<->]([yshift=1cm]al)--([yshift=1cm]bl) node [midway,above,draw=none] {$\Delta$} ;
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=10pt]al)--([xshift=10pt,yshift=0.7cm]al);
+ \draw[stealth-stealth]([yshift=0.6cm]al.center)--([xshift=10pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
+ \draw[stealth-stealth]([yshift=1cm]al)--([yshift=1cm]bl) node [midway,above,draw=none] {$\Delta$} ;
\draw[red,dash pattern=on 2pt off2pt](al)--([yshift=1.1cm]al);
\draw[red,dash pattern=on 2pt off2pt](bl)--([yshift=1.1cm]bl);
\end{tikzpicture}
@@ -532,10 +547,10 @@
\end{tabular}
\end{center}
-In rings, even when \CFkv{fixed length}{true}, the default behaviour is restored for the bonds of the cylce, in order to draw regular polygons.
+In rings, even when \CFkv{fixed length}{true}, the default behavior is restored for the bonds of the cycle, in order to draw regular polygons.
\exemple{Fixed length bonds}/\chemfig{Cl-Cl}\par
-\setchemfig{fixed length=true}\chemfig{Cl-Cl}/
+\chemfig[fixed length=true]{Cl-Cl}/
Especially with the default behavior, to avoid too short bonds, it is sometimes necessary to increase (or perhaps reduce) the interatomic distance. For this, the optional argument to bonds is actually made up of several comma-separated fields. As we have seen, the first field specifies the angle. The second field, if it is not empty, is a coefficient which multiplies the default interatomic distance $\Delta$. Thus, writing \verb+-[,2]+ asks that this bond have the default angle (first field is empty) and that the atoms it connects be separated by twice the default distance.
\exemple{Modified bond length}/\chemfig{A^{++}_{2}-[,2]B^{-}_3}\par
@@ -565,10 +580,10 @@
\chemfig{ABCD-[5]EFG}|
One may sometimes want the bond partners to be atoms other than those determined by \CF. The departure and arrival atoms can be set with the optional bond argument by writing:
-\centerverb/[,,<integer 1>,<integer 2>]/
-\smallskip
-
-where \verb-<integer 1>- and \verb-<integer 2>- are the numbers of the desired departure and arrival atoms. These atoms must exist, otherwise an error message will be given.
+\begin{center}
+ \Verb/[,,<integer 1>,<integer 2>]/
+\end{center}
+where \Verb-<integer 1>- and \Verb-<integer 2>- are the numbers of the desired departure and arrival atoms. These atoms must exist, otherwise an error message will be given.
\exemple{Specified atom connections}|\chemfig{ABCD-[:75,,2,3]EFG}\qquad
\chemfig{ABCD-[:75,,,2]EFG}\qquad
\chemfig{ABCD-[:75,,3,2]EFG}|
@@ -575,10 +590,11 @@
\section{Customization of bonds}\label{perso-liaisons}
There is a fifth and last optional argument for bonds which is found after the fourth comma:
-\centerverb/[,,,,<tikz code>]/
-\smallskip
+\begin{center}
+ \Verb/[,,,,<tikz code>]/
+\end{center}
-This \verb-<tikz code>- is passed directly to \TIKZ when the bond is drawn. There one can put characteristics such as colour (\verb-red-), dash type (\verb-dash pattern=on 2pt off 2pt-), thickness (\verb-line width=2pt-), or even decoration if the \TIKZ decoration library has been loaded. A bond can be made invisible by writing ``\verb-draw=none-''. To set several attributes, the syntax of \TIKZ is used, separating them by a comma:
+This \Verb-<tikz code>- is passed directly to \TIKZ when the bond is drawn. There one can put characteristics such as colour (\verb-red-), dash type (\verb-dash pattern=on 2pt off 2pt-), thickness (\verb-line width=2pt-), or even decoration if the \TIKZ decoration library has been loaded. A bond can be made invisible by writing ``\verb-draw=none-''. To set several attributes, the syntax of \TIKZ is used, separating them by a comma:
\exemple{Passing tikz code}|\chemfig{A-[,,,,red]B}\par
\chemfig{A-[,,,,dash pattern=on 2pt off 2pt]B}\par
\chemfig{A-[,,,,line width=2pt]B}\par
@@ -594,13 +610,14 @@
\begin{itemize}
\item 0\degres{} for the bond angle;
\item 1 for the length multiplication coefficient;
- \item \verb-<empty>- for the numbers of the departure and arrival atoms, which lets \CF calculate these based on the bond angle;
- \item \verb-<empty>- for the parameters passed to \TIKZ.
+ \item \Verb-<empty>- for the numbers of the departure and arrival atoms, which lets \CF calculate these based on the bond angle;
+ \item \Verb-<empty>- for the parameters passed to \TIKZ.
\end{itemize}
These default values can be changed for the whole molecule by beginning the molecule code with
-\centerverb/[<angle>,<coeff>,<n1>,<n2>,<tikz code]/
-\smallskip
+\begin{center}
+ \Verb/[<angle>,<coeff>,<n1>,<n2>,<code tikz>]/
+\end{center}
Thus, if the code of a molecule begins with \verb-[:20,1.5]-, then all the bonds will be at angle of 20\degres{} by default, and the interatomic distances will have a length 1.5 times the default length. These default values can be overridden at any time by giving an optional argument, such as for the bond which follows atom ``C'' in this example:
\exemple{Overriding default values}|\chemfig{[:20,1.5]A-B-C-[:-80,0.7]D-E-F}|
@@ -610,7 +627,7 @@
\section{Branches}
\subsection{Principle}
-Up to now, all the molecules have been linear, which is rare. A sub-molecule can be attached to an atom by following the atom with \verb-<code>- in parentheses. This \verb-<code>- is the code of the submolecule which will be attached to the atom.
+Up to now, all the molecules have been linear, which is rare. A sub-molecule can be attached to an atom by following the atom with \Verb-<code>- in parentheses. This \Verb-<code>- is the code of the sub-molecule which will be attached to the atom.
In this example, the sub-molecule ``\verb/-[1]W-X/'' will be attached to atom ``B'':
\exemple{A branch}|\chemfig{A-B(-[1]W-X)-C}|
@@ -656,16 +673,16 @@
\exemple{Several distant bonds}|\chemfig{A-B(-[1]W-X?)(-[7]Y-Z?)-C?}|
Now imagine if we were to leave the distant bonds \verb/X-C/ and \verb/X-Z/while adding another: \verb/A-W/. We must therefore ask for two \emph{different} hooks, one on \verb/A/ and the other on \verb/X/. Fortunately the character \verb/?/ has an optional argument:
-\centerverb/?[<name>,<bond>,<tikz>]/
-\smallskip
-
+\begin{center}
+ \Verb/?[<name>,<bond>,<tikz>]/
+\end{center}
where each field takes its default value if it is empty:
\begin{itemize}
- \item The \verb-<name>- is the name of the hook: all alphanumeric characters (a\dots z, A\dots Z, 0\dots 9) are allowed\footnote{This is not exactly right. Actually all the characters that can be put between \texttt{\string\csname...\string\endcsname} are allowed.}. The name is \verb-a- by default. In the first occurrence of the hook with this name, only this field is used.
- \item \verb-<bond>- specifies how the atom with the current occurrence of the named hook is to be bonded to the atom with the first occurrence of the hook. There are two ways this can be done. First, this field can be an integer representing the desired bond type: 1=single bond, 2=double bond, etc. (See the table on page~\pageref{types.liaisons} for the bond codes.)
+ \item The \Verb-<name>- is the name of the hook: all alphanumeric characters (a\dots z, A\dots Z, 0\dots 9) are allowed\footnote{This is not exactly right. Actually all the characters that can be put between \texttt{\string\csname...\string\endcsname} are allowed.}. The name is \verb-a- by default. In the first occurrence of the hook with this name, only this field is used.
+ \item \Verb-<bond>- specifies how the atom with the current occurrence of the named hook is to be bonded to the atom with the first occurrence of the hook. There are two ways this can be done. First, this field can be an integer representing the desired bond type: 1=single bond, 2=double bond, etc. (See the table on page~\pageref{types.liaisons} for the bond codes.)
Second, the field can be one of the bond character codes, provided that this character is \emph{between braces}.
- \item \verb-<tikz>- will be passed directly to \TIKZ as we have seen with regular bonds.
+ \item \Verb-<tikz>- will be passed directly to \TIKZ as we have seen with regular bonds.
\end{itemize}
Here is our molecule with the required distant bonds, then with the bond \verb/A-W/ and \verb/X-C/ customized:
@@ -683,12 +700,12 @@
The preceding example shows how to draw a regular polygon, but the method used is tedious because the angles depend on the number of sides of the polygon.
\subsection{Syntax}
-\CF can easily draw regular polygons. The idea is to attach a ring to an \verb/<atom>/ outside the ring with this syntax:
-\centerverb/<atom>*<n>(<code>)/
-\smallskip
+\CF can easily draw regular polygons. The idea is to attach a ring to an \Verb/<atom>/ outside the ring with this syntax:
+\begin{center}
+ \Verb/<atom>*<n>(<code>)/
+\end{center}
+\Verb/<n>/ is the number of sides of the polygon and the \Verb/<code>/ describes the bonds and groups of atoms which make up its edges and vertices. This code \emph{must} begin with a bond because the atom is outside the ring.
-\verb/<n>/ is the number of sides of the polygon and the \verb/<code>/ describes the bonds and groups of atoms which make up its edges and vertices. This code \emph{must} begin with a bond because the atom is outside the ring.
-
Here is a 5-ring, attached to the atom ``\verb/A/'':
\exemple{5-ring}|\chemfig{A*5(-B=C-D-E=)}|
@@ -701,13 +718,13 @@
\exemple{Truncated 5-ring}|\chemfig{A*5(-B=C-D-E=F-G=H-I)}|
It is possible to draw a circle or an arc in the inside of a ring. To do so, the following syntax is used:
-\centerverb/<atom>**[<angle 1>,<angle 2>,<tikz>]<n>(<code>)/
-\smallskip
-
+\begin{center}
+ \Verb/<atom>**[<angle 1>,<angle 2>,<tikz>]<n>(<code>)/
+\end{center}
where each field of the optional argument takes its default value if it is empty:
\begin{itemize}
- \item \verb/<angle 1>/ and \verb/<angle 2>/ are the absolute angles of the start and finish of the arc. These default to 0\degres{} and 360\degres{} respectively so that a circle is drawn by default;
- \item \verb/<tikz>/ is the code that will be passed to \TIKZ for drawing the arc.
+ \item \Verb/<angle 1>/ and \Verb/<angle 2>/ are the absolute angles of the start and finish of the arc. These default to 0\degres{} and 360\degres{} respectively so that a circle is drawn by default;
+ \item \Verb/<tikz>/ is the code that will be passed to \TIKZ for drawing the arc.
\end{itemize}
\exemple{Rings and arcs}|\chemfig{**6(------)}\quad
@@ -736,10 +753,10 @@
\subsection{Branches on a ring}
To have branches attached to the vertices of a ring, we use the syntax we have already seen:
-\centerverb/<atom>(<code>)/
-\smallskip
-
-where the \verb/<code>/ is that of the sub-molecule and the \verb-<atom>- is at the vertex. Unique to rings, the default angle of the sub-molecule is not 0\degres{} but is calculated so that it will bisect the sides leaving the vertex:
+\begin{center}
+ \Verb/<atom>(<code>)/
+\end{center}
+where the \Verb/<code>/ is that of the sub-molecule and the \Verb-<atom>- is at the vertex. Unique to rings, the default angle of the sub-molecule is not 0\degres{} but is calculated so that it will bisect the sides leaving the vertex:
\exemple{Branch on a ring}|\chemfig{X*6(-=-(-A-B=C)=-=-)}|
A sub-molecule can be attached to the first vertex of a ring, just like the other vertices:
@@ -764,7 +781,7 @@
It is quite possible to glue multiple rings together:
\exemple{Multiple nested rings}|\chemfig{*5(--*6(-*4(-*5(----)--)----)---)}|
-There is a case where a trick must be used. It can be seen in this example that the fourth side of the second 5-ring just passes through the centre of atom ``\verb-E-''.
+There is a case where a trick must be used. It can be seen in this example that the fourth side of the second 5-ring just passes through the center of atom ``\verb-E-''.
\exemple{Flawed drawing}|\chemfig{A-B*5(-C-D*5(-X-Y-Z-)-E-F-)}|
This is normal because the second 5-ring (which is attached to atom ``\verb-D-'') is drawn \emph{before} \CF knows about atom ``\verb-E-''. In this case, it is necessary to use two hooks to draw the bond \verb/Z-E/:
@@ -781,18 +798,19 @@
\exemple{Forced departure and arrival atoms}|\chemfig{AB*5(-CDE-[,,1]F-[,,,1]GH-I-)}|
\section{Representing electron movements}\label{mecanismes-reactionnels}
-Starting with \CF version 0.3, we can represent the movement of electrons in mesomeric effects or reaction mechanisms. This is done by marking the departure and arrival points of the electron movement arrow using the syntax ``\verb-@{<argument>}-''. This syntax allows a \TIKZ node to be placed and makes this node accessible outside the argument of the \verb-\chemfig- command thanks to the ``\texttt{remember picture}'' option which is passed to all the ``\falseverb{tikzpicture}'' environments. It is assumed that the viewer supports ``\falseverb{picture remembering}'' and that the compilation is done twice.
+Starting with \CF version 0.3, we can represent the movement of electrons in mesomeric effects or reaction mechanisms. This is done by marking the departure and arrival points of the electron movement arrow using the syntax ``\Verb-@{<argument>}-''. This syntax allows a \TIKZ node to be placed and makes this node accessible outside the argument of the \verb-\chemfig- command thanks to the ``\texttt{remember picture}'' option which is passed to all the ``\falseverb{tikzpicture}'' environments. It is assumed that the viewer supports ``\falseverb{picture remembering}'' and that the compilation is done twice.
Two types of diagrams can arise, so we can ask for:
\begin{itemize}
- \item a zero size node on a bond using the syntax ``\verb-@{<name>,<coeff>}-'' placed at the beginning of the optional argument of the relevant bond, without being followed by a comma if there is a first optional argument. In this case, the node takes the name ``\verb-<name>-'' and the \verb-<coeff>-, which must be between 0 and 1, determines where the node is located on the bond. If ``\verb-@{<name>}-'' is used, the \verb-<coeff>- is set to 0.5 by default, which means that the node is placed halfway along the bond;
- \item a node on an atom using the syntax ``\verb-@{<name>}-'' immediately before the relevant atom. In this case, the node has exactly the same footprint as the atom, but may be empty and therefore have zero dimensions.
+ \item a zero size node on a bond using the syntax ``\Verb-@{<name>,<coeff>}-'' placed at the beginning of the optional argument of the relevant bond, without being followed by a comma if there is a first optional argument. In this case, the node takes the name ``\Verb-<name>-'' and the \Verb-<coeff>-, which must be between 0 and 1, determines where the node is located on the bond. If ``\Verb-@{<name>}-'' is used, the \Verb-<coeff>- is set to 0.5 by default, which means that the node is placed halfway along the bond;
+ \item a node on an atom using the syntax ``\Verb-@{<name>}-'' immediately before the relevant atom. In this case, the node has exactly the same footprint as the atom, but may be empty and therefore have zero dimensions.
\end{itemize}
-Once the \falseverb{\chemfig} command has drawn the molecule(s) and has placed the nodes with the syntax described above, we can connect these nodes to each other with \TIKZ instructions. These instructions are placed in the argument of the command \verb-\chemmove-\footnote{Actually, the \texttt{\string\chemmove} command puts its argument in a ``\falseverb{tikzpicture}'' environment with the options ``\texttt{remember picture, overlay}''.} and has the following syntax if (for example) we need to connect a node named ``\verb-<name1>-'' to the node named ``\verb-<name2>-'':
-\centerverb|\chemmove[<opt>]{\draw[<tikz opt>](<name1>)<tikz link>(<name2>);}|
-\smallskip
+Once the \falseverb{\chemfig} command has drawn the molecule(s) and has placed the nodes with the syntax described above, we can connect these nodes to each other with \TIKZ instructions. These instructions are placed in the argument of the command \verb-\chemmove-\footnote{Actually, the \texttt{\string\chemmove} command puts its argument in a ``\falseverb{tikzpicture}'' environment with the options ``\texttt{remember picture, overlay}''.} and has the following syntax if (for example) we need to connect a node named ``\Verb-<name1>-'' to the node named ``\Verb-<name2>-'':
+\begin{center}
+ \Verb|\chemmove[<opt>]{\draw[<tikz opt>](<name1>)<tikz link>(<name2>);}|
+\end{center}
-The optional argument \verb-<opt>- of the \verb-\chemmove- command will be added to the argument of the \falseverb{tikzpicture} environment in which the links between the nodes will be drawn. The \verb-<tikz opt>- and \verb-<tikz link>- instructions are describe in detail in the documentation of the \TIKZ package.
+The optional argument \Verb-<opt>- of the \verb-\chemmove- command will be added to the argument of the \falseverb{tikzpicture} environment in which the links between the nodes will be drawn. The \Verb-<tikz opt>- and \Verb-<tikz link>- instructions are describe in detail in the documentation of the \TIKZ package.
\subsection{Mesomeric effects}
To make these concepts concrete, let's take the example of a mesomeric effect involving a double bond and non-bonding lone pair conjugate. Let's begin with the possible delocalization of electrons from the double bond. We will place a node named ``db'' (double bond) in the middle of the double bond and a node named ``a1'' on the end of the double bond.
@@ -810,8 +828,9 @@
As noted above, there is no comma after the node placed in the optional arguments of a bond; we write ``\verb|=_[@{db}::30]|'' and not ``\verb|=_[@{db},::30]|'' as one might be tempted to do.
To link the nodes ``db'' and ``a1'' we have used the following syntax:
-\centerverb|\chemmove{\draw(db)..controls +(80:8mm) and +(145:8mm)..(a1);}|
-\medskip
+\begin{center}
+ \Verb|\chemmove{\draw(db)..controls +(80:8mm) and +(145:8mm)..(a1);}|
+\end{center}
For arrows in \verb|\chemmove|, the default tip is ``CF''.In this example we ask for an arrow (\verb/[->]/) and we use two \falseverb{control points}\footnote{To find all the ways of connecting two nodes with \TIKZ, read the documentation for that package.}. These will be located using polar coordinates at 80\degres{} and 8~mm from ``db'' for the first and at 145\degres{} and 8~mm from ``a1'' for the second. Though this syntax may seem complicated at first reading, one need not be alarmed because its use will usually be a matter of copying and pasting. Only the names and coordinates of the control points need be changed, as can be verified from the example below, where an arrow has been added from the lone pair (node ``dnl'' to the single bond (node ``sb'').
\exemple{Mesomeric effect 2}/\schemestart
@@ -859,7 +878,7 @@
\chemmove{\draw[shorten >=4pt]
(x1).. controls +(90:1cm) and +(90:1cm).. (x2);}/
-Note that the tail of the arrow does not leave correctly from our electrons; it leaves from the middle of the upper edge of the node. Indeed, we chose a departure angle of 90~\degres{} and so \TIKZ makes the arrow leave from the anchor ``x1.90'' which corresponds to the intersection of the ray leaving from the centre of node ``x1'' at a 90\degres{} angle relative to the horizontal and of the edge of the rectangular node. To get the arrow departure angle that we want, we must specify its position. After some trial and error, it is ``x1.57'':
+Note that the tail of the arrow does not leave correctly from our electrons; it leaves from the middle of the upper edge of the node. Indeed, we chose a departure angle of 90~\degres{} and so \TIKZ makes the arrow leave from the anchor ``x1.90'' which corresponds to the intersection of the ray leaving from the center of node ``x1'' at a 90\degres{} angle relative to the horizontal and of the edge of the rectangular node. To get the arrow departure angle that we want, we must specify its position. After some trial and error, it is ``x1.57'':
\exemple{Departure or arrival anchor point 2}/\chemfig{@{x1}\lewis{1:,X}}
\hspace{2cm}
\chemfig{@{x2}\lewis{2|,X}}
@@ -888,7 +907,7 @@
\draw(dnl)..controls +(90:1cm)and+(north:1cm)..(atoc);
\draw[shorten >=6pt](db)..controls +(north:5mm)and+(100:1cm)..(atoh);}/
-The use of the \verb|\chemabove{<code>}{<materiel>}| command does not change the dimensions of the \falseverb{bounding box} of \verb|<code>|. For this reason we can run into some difficulty in pointing to the symbol representing the charge carried ($\oplus$ or $\ominus$). In the example above the solution is to create a control point with an angle of 110\degres{} at 1~cm from ``atoh'' and to shorten the arrow by 6pt. In the following example, the second step of the esterification reaction, we can see that the arrow can take more complicated forms without complicating the code.
+The use of the \Verb|\chemabove{<code>}{<materiel>}| command does not change the dimensions of the \falseverb{bounding box} of \Verb|<code>|. For this reason we can run into some difficulty in pointing to the symbol representing the charge carried ($\oplus$ or $\ominus$). In the example above the solution is to create a control point with an angle of 110\degres{} at 1~cm from ``atoh'' and to shorten the arrow by 6pt. In the following example, the second step of the esterification reaction, we can see that the arrow can take more complicated forms without complicating the code.
\exemple{Esterification: step 2}/\setchemfig{atom sep=7mm}
\chemfig{R-O-C(-[2]R)(-[6]OH)-@{dnl}\lewis{26,O}H}\hspace{1cm}
\chemfig{@{atoh}\chemabove{H}{\scriptstyle\oplus}}
@@ -900,10 +919,11 @@
\section{Writing a name under a molecule}\label{chemname}
For convenience, \CF can write the name of a molecule underneath it with the command
-\centerverb/\chemname[<dim>]{\chemfig{<code of the molecule>}}{<name>}/
-\smallskip
+\begin{center}
+ \Verb/\chemname[<dim>]{\chemfig{<code of the molecule>}}{<name>}/
+\end{center}
-The \verb-<dim>-, which is 1.5ex by default, will be inserted between the \falseverb{baseline} of the molecule and the top of the letters of the \verb-<name>-. The \verb-<name>- will be centred relative to the molecule, but the \verb-<name>- may not contain multiple paragraphs. As we see in this example: \chemname{\chemfig{H-O-H}}{\scriptsize\bfseries The water molecule: $\mathrm{\mathbf{H_2O}}$}, the \verb-<name>- which is displayed under the molecule is taken into account only for the vertical size of the bounding box. The horizontal size of \verb-<name>- is always zero.
+The \Verb-<dim>-, which is 1.5ex by default, will be inserted between the \falseverb{baseline} of the molecule and the top of the letters of the \Verb-<name>-. The \Verb-<name>- will be centered relative to the molecule, but the \Verb-<name>- may not contain multiple paragraphs. As we see in this example: \chemname{\chemfig{H-O-H}}{\scriptsize\bfseries The water molecule: $\mathrm{\mathbf{H_2O}}$}, the \Verb-<name>- which is displayed under the molecule is taken into account only for the vertical size of the bounding box. The horizontal size of \Verb-<name>- is always zero.
Here is a reaction with the names under the molecules:
\exemple*{Displaying names of molecules}/\schemestart
@@ -929,9 +949,9 @@
\schemestop
\chemnameinit{}/
-In fact, to draw the \verb-<name>- the command \falseverb{\chemname} inserts 1.5ex${}+{}$\emph{the largest of the depths\footnote{In \TeX{} terms, the depth is the dimension which extends vertically below the baseline.} of the molecules thus far} below the baseline of each molecule (light grey for the examples in this manual). The command \falseverb{\chenameinit}\verb-{<stuff>}- initializes this largest depth with the \verb-<stuff>-. Therefore one should:
+In fact, to draw the \Verb-<name>- the command \falseverb{\chemname} inserts 1.5ex${}+{}$\emph{the largest of the depths\footnote{In \TeX{} terms, the depth is the dimension which extends vertically below the baseline.} of the molecules thus far} below the baseline of each molecule (light gray for the examples in this manual). The command \falseverb{\chenameinit}\Verb-{<stuff>}- initializes this largest depth with the \Verb-<stuff>-. Therefore one should:
\begin{itemize}
- \item write \verb-\chemnameinit{<deepest molecule>}- before using the \verb-\chemname- command in a reaction, unless the reaction begins with the deepest molecule;
+ \item write \Verb-\chemnameinit{<deepest molecule>}- before using the \verb-\chemname- command in a reaction, unless the reaction begins with the deepest molecule;
\item write \verb-\chemnameinit{}- after having written all the names in a chemical reaction lest the greatest depth in this reaction interfere with a future reaction.
\end{itemize}
@@ -948,7 +968,7 @@
\schemestop
\chemnameinit{}/
-Finally, to write a name on multiple lines, the command \verb-\\- encountered in a \verb-<name>- causes a line break\footnote{Conversely, the command \texttt{\textbackslash par} is forbidden and causes a compilation error.}:
+Finally, to write a name on multiple lines, the command \verb-\\- encountered in a \Verb-<name>- causes a line break\footnote{Conversely, the command \texttt{\textbackslash par} is forbidden and causes a compilation error.}:
\exemple*{Name on 2 lines}/\schemestart
\chemname{\chemfig{R-C(-[:-30]OH)=[:30]O}}{Carboxilic\\Acid}
\+
@@ -960,7 +980,7 @@
\schemestop
\chemnameinit{}/
-If \verb|\chemname*{<nom>}| is written, the macro does not take into account the previous names.
+If \Verb|\chemname*{<name>}| is written, the macro does not take into account the previous names.
\newpage
\part{Advanced usage}\label{utilisation.avancee}
@@ -1000,7 +1020,7 @@
\section{Arguments given to tikz}\label{arguments.optionnels}
The \chevrons{key} \CFkey{chemfig style} contains \TIKZ instructions which will be passed to the \falseverb{tikzpicture} environment in which the molecule is drawn. On the other hand, the The \chevrons{key} \CFkey{atom style} contains \TIKZ instructions which will be executed when each node; these instructions are added to the end of \texttt{every node/.style\{<argument>\}}, i.e. after the fhe following instructions: ``{\ttfamily anchor=base,inner sep=0pt,outer sep=0pt,minimum size=0pt}''.
-With the use of the first optional argument one can, for example, choose the global colour or thickness of lines:
+With the use of the first optional argument one can, for example, choose the global color or thickness of lines:
\exemple{Style choice}/\chemfig{A-B-[2]C}\par\medskip
\setchemfig{chemfig style={line width=1.5pt}}\chemfig{A-B-[2]C}\par\medskip
\setchemfig{chemfig style=red}\chemfig{A-B-[2]C}/
@@ -1088,9 +1108,9 @@
\chemfig{-[:30]=_[:-30]-[:30]=_[:-30]-[:30]}/
\section{Delocalized double bonds}
-It is sometimes necessary to draw a double bond so that one line would be full and the other dashed. This feature is not hard-coded in \CF since \TIKZ, with its ``decorations.markings'' librairy makes it possible.
+It is sometimes necessary to draw a double bond so that one line would be full and the other dashed. This feature is not hard-coded in \CF since \TIKZ, with its ``decorations.markings'' library makes it possible.
-\exemple*{Delocalized bonds}|\catcode`\@=11
+\exemple*{Delocalized bonds}|\catcode`\_=11
\tikzset{
ddbond/.style args={#1}{
draw=none,
@@ -1097,12 +1117,12 @@
decoration={%
markings,
mark=at position 0 with {
- \coordinate (CF at startdeloc) at (0,\dimexpr#1\CF at double@sep/2)
- coordinate (CF at startaxis) at (0,\dimexpr-#1\CF at double@sep/2);
+ \coordinate (CF at startdeloc) at (0,\dimexpr#1\CF_doublesep/2)
+ coordinate (CF at startaxis) at (0,\dimexpr-#1\CF_doublesep/2);
},
mark=at position 1 with {
- \coordinate (CF at enddeloc) at (0,\dimexpr#1\CF at double@sep/2)
- coordinate (CF at endaxis) at (0,\dimexpr-#1\CF at double@sep/2);
+ \coordinate (CF at enddeloc) at (0,\dimexpr#1\CF_doublesep/2)
+ coordinate (CF at endaxis) at (0,\dimexpr-#1\CF_doublesep/2);
\draw[dash pattern=on 2pt off 1.5pt] (CF at startdeloc)--(CF at enddeloc);
\draw (CF at startaxis)--(CF at endaxis);
}
@@ -1110,17 +1130,17 @@
postaction={decorate}
}
}
-\catcode`\@=12
+\catcode`\_=8
\chemfig{A-[,,,,ddbond={+}]B-[,,,,ddbond={-}]C}|
\section{Saving a sub-molecule}\label{definesubmol}
-\CF is capable of saving a \verb-<code>- as an alias for reuse in a more compact form in the code of a molecule. This is particularly useful when the \verb-<code>- appears several times.
+\CF is capable of saving a \Verb-<code>- as an alias for reuse in a more compact form in the code of a molecule. This is particularly useful when the \Verb-<code>- appears several times.
To do this, one gives the command
-\centerverb|\definesubmol{<name>}{<code>}|
-\smallskip
-
-which saves the \verb/<code>/ for recall in the code of the molecule via the shortcut ``\verb/!{name}/''. This \verb-<name>- can be:
+\begin{center}
+ \Verb|\definesubmol{<name>}{<code>}|
+\end{center}
+which saves the \Verb/<code>/ for recall in the code of the molecule via the shortcut ``\verb/!{name}/''. This \Verb-<name>- can be:
\begin{itemize}
\item a sequence of characters: all the alphanumeric characters able to be between \texttt{\string\csname} and \texttt{\string\endcsname} are accepted;
\item a control sequence.
@@ -1127,8 +1147,9 @@
\end{itemize}
In all cases, if the alias is already defined you should not overwrite it with a new definition using \falseverb{\definesubmol}. A warning will be issued to the user that the old alias will be overwritten by the new one. To override the definition of an alias made previously, use:\label{redefinesubmol}
-\centerverb|\redefinesubmol{<name>}{<code>}|
-\smallskip
+\begin{center}
+ \Verb|\redefinesubmol{<name>}{<code>}|
+\end{center}
Here is a code which draws the pentane molecule. An alias ``\verb/xy/'' was defined beforehand for the code \verb/CH_2/:
\exemple{Pentane}|\definesubmol{xy}{CH_2}
@@ -1141,35 +1162,46 @@
\chemfig{[:15]H-!\xx-!\xx-!\xx-!\xx-H}|
The \falseverb{\definesubmol} command takes an optional argument; its syntax is as follows:
-\centerverb/\definesubmol{<name>}[<code1>]{code2}/
-\medskip
+\begin{center}
+ \Verb/\definesubmol{<name>}[<code1>]{code2}/
+\end{center}
-When the optional argument is present, the alias ``\verb-!<name>-'' will be replaced by \verb'<code1>' if the bond which arrives at the alias comes from the right, i.e., if the angle which the arriving bond makes is between but is not equal to 90\degres{} and 270\degres{}. For all the other cases where the bond arrives from the left of vertically, the alias will be replaced by \verb-<code2>-.
+When the optional argument is present, the alias ``\Verb-!<name>-'' will be replaced by \Verb'<code1>' if the bond which arrives at the alias comes from the right, i.e., if the angle which the arriving bond makes is between but is not equal to 90\degres{} and 270\degres{}. For all the other cases where the bond arrives from the left of vertically, the alias will be replaced by \Verb-<code2>-.
We will define a control sequence \verb-\Me- pour ``methyl'' so that the alias ``\verb-!\Me-'' will be replaced by ``\verb-H_3C-'' when the bond arrives from the right and by ``\verb-CH_3-'' when it arrives from the left. We can observe in the example that with this alias we need no longer worry about the angle:
\exemple{Dual alias}/\definesubmol\Me[H_3C]{CH_3}
\chemfig{*6((-!\Me)=(-!\Me)-(-!\Me)=(-!\Me)-(-!\Me)=(-!\Me)-)}/
-\label{definesubmolarg}The submolecule saved with a \verb|<name>| does not admit an argument when it is called after "\verb|!||". To define a submolecule admitting one or more arguments, place this \verb|<number>| of arguments just after the \verb|<name>|. And the full syntax of \verb|\definesubmol| is:
+\label{definesubmolarg}The sub-molecule saved with a \Verb|<name>| does not admit an argument when it is called after "\verb|!||". To define a sub-molecule admitting one or more arguments, place this \Verb|<number>| of arguments just after the \Verb|<name>|. And the full syntax of \verb|\definesubmol| is:
+\begin{center}
+ \Verb/\definesubmol{<name>}<number>[<code1>]{<code2>}/
+\end{center}
-\centerverb/\definesubmol<number>{<name>}[<code1>]{<code2>}/
+In the \Verb|<codes>|, the arguments must appear in their usual form "\Verb|#<n>|" where \Verb|<n>| is the argument number.
-In the \verb|<codes>|, the arguments must appear in their usual form "\verb|#<n>|" where \verb|<n>| is the argument number.
-
-\exemple{\texttt{\string\definesubmol} avecwith arguments}/\definesubmol\X1{-[,-0.3,,,draw=none]\footnotesize#1}
+\exemple{\texttt{\string\definesubmol} with arguments}/\definesubmol\X1{-[,-0.2,,,draw=none]{\scriptstyle#1}}
\chemfig{*6((!\X A)-(!\X B)-(!\X C)-(!\X D)-(!\X E)-(!\X F)-)}
\definesubmol{foo}3[#3|\textcolor{#1}{#2}]{\textcolor{#1}{#2}|#3}
\chemfig{A(-[:135]!{foo}{red}XY)-B(-[:45]!{foo}{green}{W}{zoo})}/
+It should be noted that if the \Verb|<number>| of arguments is incorrect (negative or greater than 9), an error message will be issued and \CF will consider that the sub molecule does not admit an argument.
+
+Except in cases where the character "\verb|#|" is followed by a number between 1 and \Verb|<number>| in which case it represents an argument, "\verb|#|" are allowed in the sub-molecule codes.
+
+\exemple{Use of \#}/\definesubmol\X2{#1-#2-#2-#3-###(3pt,3pt)#4}
+\chemfig{A-!\X{M}{N}-B}/
+
+In this example, only \verb|#1| and \verb|#2| are understood as the arguments of the sub molecule \verb|\X|. The other "\verb|#|" are displayed as they are in the molecule (case of \verb|#3| and \verb|#4|) or understood as the character specifying the fine adjustment of the offset of the bonds.
+
\section{Decorations}
\subsection{Lewis diagrams}\label{lewis}
The macro \falseverb{\lewis} allows placement of pairs of electrons, of single electrons, or of empty slots. This syntax is used:
-\centerverb|\lewis{<n1><n2>...<ni>,<atom>}|
-\smallskip
+\begin{center}
+ \Verb|\lewis{<n1><n2>...<ni>,<atom>}|
+\end{center}
+where the \Verb-<n1>-\dots\Verb-<ni>- represent the desired positions (in multiples of 45\degres) around the \Verb-<atom>-. These whole numbers must be between 0 and 7.
-where the \verb-<n1>-\dots\verb-<ni>- represent the desired positions (in multiples of 45\degres) around the \verb-<atom>-. These whole numbers must be between 0 and 7.
-
This command can also be used inside the argument of \verb-\chemfig-:
\exemple{The \string\lewis\ macro}|\lewis{0246,A}\par\medskip
\lewis{1357,B}\par\medskip
@@ -1197,23 +1229,36 @@
\item \CFkv{lewis sep}{dim} is the distance between the bounding box and the decoration. It is 0.2ex by default;
\item \CFkv{lewis length}{dim} is the length of the line segment representing a pair of electrons. It is 1.5ex by default;
\item \CFkv{lewis style}{code tikz} is code which is passed directly to \TIKZ. This code is empty by default.
- \item \CFkv{lewis dist}{dim}: is the distance between 2 discs drawn with "\string:. This distance is set to \CFval{0.3em} by default.
- \item \CFkv{lewis radius}{dim}: is the radius of the disc drawn with "." or "\string:". Its default value is \CFval{0.15ex}.
+ \item \CFkv{lewis dist}{dim}: is the distance between 2 discs drawn with "\string:. This distance is set to \CFval{0.3em} by default;
+ \item \CFkv{lewis radius}{dim}: is the radius of the disc drawn with "." or "\string:". Its default value is \CFval{0.15ex};
+ \item \CFkv{lewis diag coeff}{decimal}: is the diagonal spacing factor and its default value is \CFval{1}.
\end{itemize}
+It should be noted that the parameters specific to Lewis decorations can be passed by
+\begin{itemize}
+ \item \Verb|\setchemfig{<keys>=<values>}| so that they last for the rest of the document;
+ \item \Verb|\chemfig[<keys>=<values>]| and in this case, the settings are effective in the current molecule;
+ \item \Verb|\lewis[<keys>=<values>]| so that the parameters are specific to this execution of the macro \verb|\lewis|.
+\end{itemize}
+
+The last way, of course, allows individual settings, but must be used with caution when the macro \verb|\lewis| is in the argument of \verb|\chemfig|. Indeed, the signs \verb-=- of the \Verb|<key>=<values>| should not be interpreted as a double bond and to do so, the macro \verb|\lewis|, its optional and mandatory argument \emph{must} be inside braces:
+
+\exemple{Optional argument of \string\lewis}/\chemfig{{\lewis[lewis style=red]{1:3:5:7:,X}}-{\lewis[lewis style=blue]{0:2:4:6:,Y}}}/
+
+Here are some examples of customization:
+
\exemple{Parameters for the \string\lewis\ macro}*\setchemfig{lewis sep=4pt,lewis length=1.5em,lewis style=red}
\chemfig{A-\lewis{26,B}-C}\bigbreak
-\setchemfig{lewis style={line width=0.4pt}}
-\chemfig{A-\lewis{2|,B}-C}\bigbreak
+\chemfig[lewis style={line width=0.4pt}]{A-\lewis{2|,B}-C}\bigbreak
\Lewis{1:3:5:7:,X}\qquad\Lewis{0:2:4:6:,X}\bigbreak
-\setchemfig{lewis dist=0.2em}
-\Lewis{1:3:5:7:,X}\qquad\Lewis{0:2:4:6:,X}\bigbreak
+\Lewis[lewis dist=0.2em]{1:3:5:7:,X}\qquad
+\Lewis[lewis dist=0.2em]{0:2:4:6:,X}\bigbreak
-\setchemfig{lewis dist=4pt,lewis radius=1.5pt}
-\Lewis{1:3:5:7:,X}\qquad\Lewis{0:2:4:6:,X}*
+\Lewis[lewis dist=4pt,lewis radius=1.5pt]{1:3:5:7:,X}\qquad
+\Lewis[lewis dist=4pt,lewis radius=1.5pt]{0:2:4:6:,X}*
A problem sometimes occurs with the decorations of Lewis in the odd directions. In the example below with the atom ``O'', the decoration in position 1 seems farther from the atom than the decoration in position 4:
\exemple{Odd directions}/\huge
@@ -1225,21 +1270,23 @@
\Lewis{1|4|,O}/
\label{opt.lewis}The impression of greater distance is due to the shape of the letter ``O'' which is farther from the one of the bounding box in the corners, that is to say, in odd directions.
-To move nearer (or farther) the Lewis drawings in odd directions, the \verb-\lewis- and \verb-\Lewis- accept an optional argument that contains a factor which multiplies the gap between the bounding box and decoration Lewis set with the \falseverb{\setlewis} command. For the letter ``O'', it semms that 0.5 is the appropriated value:
+To move nearer (or farther) the Lewis drawings in odd directions, the \chevrons{clé} \CFkv{lewis diag coeff}{decimal} sets the factor which multiplies the gap between the bounding box and decoration Lewis. For the letter ``O'', it seems that 0.5 is the appropriated value:
\exemple*{Optional argument of \string\lewis}/\huge
-\Lewis{1|4|,O}\quad \Lewis[0.5]{1|4|,O}
+\Lewis{1|4|,O}\quad \Lewis[lewis diag coeff=0.5]{1|4|,O}
-\Lewis{0:3:,O}\quad \Lewis[2]{0:5:,O}\quad \Lewis[0]{0:5:,O}\quad \Lewis[0.5]{0:5:,O}/
+\Lewis{0:5:,O}\quad \Lewis[lewis diag coeff=2]{0:5:,O}\quad \Lewis[lewis diag coeff=0.5]{0:5:,O}/
\subsection{Stacking characters}
The macros\label{chemabove}
-\centerverb|\chemabove[<dim>]{<code>}{<stuff>}|
+\begin{center}
+ \Verb|\chemabove[<dim>]{<code>}{<stuff>}|
+\end{center}
and
-\centerverb|\chembelow[<dim>]{<code>}{<stuff>}|
-\smallskip
+\begin{center}
+ \Verb|\chembelow[<dim>]{<code>}{<stuff>}|
+\end{center}
+place the \Verb-<stuff>- above and below the \Verb-<code>- respectively at a vertical distance \Verb-<dim>-, without changing the \falseverb{bounding box} of \Verb-<code>-. The optional argument allows, if written, to specify this dimension at each call. If the optional argument is not used, a default size will be taken: its value is \CFval{1.5pt} but it can be modified with the \chevrons{key} \CFkv{stack sep}{dim}.
-place the \verb-<stuff>- above and below the \verb-<code>- respectively at a vertical distance \verb-<dim>-, without changing the \falseverb{bounding box} of \verb-<code>-. The optional argument allows, if written, to specify this dimension at each call. If the optional argument is not used, a default size will be taken: its value is \CFval{1.5pt} but it can be modified with the \chevrons{key} \CFkv{stack sep}{dim}.
-
These commands are independent of the macro \verb-\chemfig- and can be used either inside or outside its argument.
They are especially useful in rings, if care is taken to put braces around the letters A, B, C and D in order to prevent \CF from starting a new atom on these letters:
@@ -1248,7 +1295,7 @@
They are sometimes useful for placing pseudo-exponents which do not change the bounding box of the atoms, so that the bonds do not end up being too short:
\exemple{Hydronium ion}*\chemfig{H-\chemabove{\lewis{5|7,O}}{\quad\scriptstyle+}(-[2]H)-H}*
-\label{Chemabove}The \falseverb{\Chemabove} and \falseverb{\Chembelow} commands work in the same way, except that the bounding box takes into account the \verb-<stuff>- placed above or below.
+\label{Chemabove}The \falseverb{\Chemabove} and \falseverb{\Chembelow} commands work in the same way, except that the bounding box takes into account the \Verb-<stuff>- placed above or below.
\section{Using {\protect\ttfamily\protect\textbackslash chemfig} in the {\protect\ttfamily tikzpicture} environment}
It is possible to call the \falseverb{\chemfig} inside a {\ttfamily\falseverb{tikzpicture}} environment:
@@ -1368,19 +1415,16 @@
\subsubsection{Haworth projection}
The goal is to depict this D-glucopyranose molecule:
-{\setchemfig{cram width=2pt}
-\chemfig{HO-[2,0.5,2]?<[7,0.7](-[2,0.5]OH)-[,,,,line width=2pt](-[6,0.5]OH)>[1,0.7](-[6,0.5]OH)-[3,0.7]O-[4]?(-[2,0.3]-[3,0.5]OH)}}
+\chemfig[cram width=2pt]{HO-[2,0.5,2]?<[7,0.7](-[2,0.5]OH)-[,,,,line width=2pt](-[6,0.5]OH)>[1,0.7](-[6,0.5]OH)-[3,0.7]O-[4]?(-[2,0.3]-[3,0.5]OH)}
First of all we will choose the longest chain, which starts at the ``HO'' group on the left and continues through fives sides of the ring. The ring will be closed with a hook. For the vertical bond which leaves from the first ``HO'' group, we need to specify that it will leave from the second atom using the optional argument. Furthermore, it will be shortened with a coefficient of 0.5. Its optional argument will thus be ``\verb/[2,0.5,2]/''.
Next, to give the impression of perspective to the ring, the diagonal bonds will be shortened by a coefficient of 0.7. For the bold diagonal lines we will use Cram bonds, having redefined the base of the triangles to be 2pt. The bold horizontal bond needs to be drawn with a thickness of 2pt, and so its optional argument will be ``\verb/[0,,,,line width=2pt]/''. Here is the skeleton of the molecule:
-\exemple{Structure}|\setchemfig{cram width=2pt}
-\chemfig{HO-[2,0.5,2]?<[7,0.7]-[,,,,
+\exemple{Structure}|\chemfig[cram width=2pt]{HO-[2,0.5,2]?<[7,0.7]-[,,,,
line width=2pt]>[1,0.7]-[3,0.7]O-[4]?}|
All that needs to be done now is to add the branches at the correct places, giving the right absolute angles and sometimes reducing the length to better give the illusion of perspective:
-\exemple{Haworth projection}|\setchemfig{cram width=2pt}
-\chemfig{HO-[2,0.5,2]?<[7,0.7](-[2,0.5]OH)-[,,,,
+\exemple{Projection de Haworth}|\chemfig[cram width=2pt]{HO-[2,0.5,2]?<[7,0.7](-[2,0.5]OH)-[,,,,
line width=2pt](-[6,0.5]OH)>[1,0.7](-[6,0.5]OH)-[3,0.7]
O-[4]?(-[2,0.3]-[3,0.5]OH)}|
@@ -1446,7 +1490,7 @@
\exemple{Colors}/\chemfig{C\color{blue}H_3-C(=[1]O)-[7]O\color{red}H}/
-This code does not work, because of the rule used to separate atoms: here, the first atom sarts at ``\verb-C-'' and spreads to the next uppercase letter. Therefore, this atom is ``\verb-C\color{blue}-'' and the color change occurs at the end of atom and has no effect. We need to force \CF to cut the first atom just after ``\verb-C-'' with the character ``\verb-|-'' and then include \verb-\color{blue}H_3- between braces so that \CF does not stop the atom 2 before the uppercase ``\verb-H-'' which would leave the color change alone and therefore ineffective in an atom:
+This code does not work, because of the rule used to separate atoms: here, the first atom starts at ``\verb-C-'' and spreads to the next uppercase letter. Therefore, this atom is ``\verb-C\color{blue}-'' and the color change occurs at the end of atom and has no effect. We need to force \CF to cut the first atom just after ``\verb-C-'' with the character ``\verb-|-'' and then include \verb-\color{blue}H_3- between braces so that \CF does not stop the atom 2 before the uppercase ``\verb-H-'' which would leave the color change alone and therefore ineffective in an atom:
\exemple{Colors}/\chemfig{C|{\color{blue}H_3}-C(=[1]O)-[7]O|{\color{red}H}}/
@@ -1493,10 +1537,11 @@
++(20:2em) ..controls +(210:3em) and +(-120:4em) ..(b);}/
\subsection{Draw a ploymer element}\label{polymerdelim}
-The macro \verb|\polymerdelim|, until now undocumented and in the test phase, becomes officialy released in \CF with version 1.33. Its syntax is as follows:
+The macro \verb|\polymerdelim|, until now undocumented and in the test phase, becomes officially released in \CF with version 1.33. Its syntax is as follows:
+\begin{center}
+ \Verb|\polymerdelim[<keys>=<values>]{<node1>}<node2>}|
+\end{center}
-\centerverb|\polymerdelim[<keys>=<values>]{<node1>}<node2>}|
-
The effect, after possibly \emph{two} compilations, is to place vertical delimiters at the specified nodes. The parameters are specified via the \chevrons{keys} and \chevrons{values}, which are listed below, default values and actions.
\begin{center}
\begin{tabular}{rlp{8cm}}\hline
@@ -1506,7 +1551,7 @@
\CFdelimparam{depth} & Defines the depth (below the node) of the delimiters. If the \chevrons{value} is empty, then the depth is equal to the height.\\
\CFdelimparam{open xshift}& Defines the horizontal offset of the opening delimiter.\\
\CFdelimparam{close xshift}& Defines the horizontal offset of the closing delimiter. If the \chevrons{value} is empty, then this offset becomes opposite to the offset of the opening delimiter.\\
- \CFdelimparam{indice} & Defines the indice that will be placed at the right bottom of the closing delimiter.\\\hline
+ \CFdelimparam{indice} & Defines the indices that will be placed at the right bottom of the closing delimiter.\\\hline
\end{tabular}
\end{center}
\exemple*{Polymers}|Polyethylen:
@@ -1524,8 +1569,8 @@
\polymerdelim[height = 30pt, depth = 5pt, indice = {}]{op}{cl}
\bigskip
-Polycaprolactame:\setchemfig{atom sep = 2em}
-\chemfig{[:-30]-[@{left,.75}]N(-[6]H)-[:30](=[2]O)--[:30]--[:30]--[@{right,0.25}:30]}
+Polycaprolactame
+\chemfig[atom sep = 2em]{[:-30]-[@{left,.75}]N(-[6]H)-[:30](=[2]O)--[:30]--[:30]--[@{right,0.25}:30]}
\polymerdelim[height = 5pt, indice = \!\!n]{left}{right}
\bigskip
@@ -1591,32 +1636,32 @@
\arclabel{0.5cm}{1}{2}{3}{\footnotesize104.45\textdegree}|
\subsection{Schéma de Lewis à l'angle près}
-Pour quelques cas très particuliers, il est parfois nécessaire de positionner des schémas de Lewis au degrés près et non plus à des multiples de 45 degrés.
+In some very special cases, it is sometimes necessary to position Lewis diagrams to the nearest degree and no longer to multiples of 45 degrees.
-Pour cela, il est relativement facile d'écrire une macro \verb-\mylewis-, admettant un argument optionnel (la longueur du doublet) qui vaut ici 2ex et deux arguments obligatoires; le premier étant le nom de l'atome et le second étant la liste des angles séparés par des virgules.
+For this, it is relatively easy to write a macro \verb-\mylewis-, admitting an optional argument (the length of the doublet) which is 2ex and two mandatory arguments; the first being the name of the atom and the second being the list of angles separated by commas.
-L'astuce consiste à créer un n\oe ud invisible circulaire qui contient l'atome et tracer les doublets aux angles désirés de façon à ce qu'ils soient tangents à ce cercle :
+The trick is to create an invisible circular node that contains the atom and draw the dipoles at the desired angles so that they are tangent to this circle:
-\exemple*{Doublets au degrés prés}|\makeatletter
+\exemple*{Doublets au degrés prés}|\catcode`\_11
\newcommand\mylewis[3][2ex]{% #1=longueur, #2=atome #3=liste des angles
\tikzpicture[baseline,anchor=base]%
\node[inner sep=0pt,outer sep=1pt,circle,overlay](atom@@)at(0,0){\phantom{#2}};%
\node[inner sep=0pt,outer sep=0pt]at(0,0){#2};%
- \def\list at angle{#3,}%
+ \def\list_angle{#3,}%
\loop
- \expandafter\grab at angle\list at angle\@nil
- \pgfextractx\CF at dim{\pgfpointanchor{atom@@}\current at angle}\edef\CF at dimax{\the\CF at dim}%
- \pgfextracty\CF at dim{\pgfpointanchor{atom@@}\current at angle}\edef\CF at dimay{\the\CF at dim}%
- \pgfmathparse{#1*sin(\current at angle)/2}\let\offset at xx\pgfmathresult
- \pgfmathparse{#1*cos(\current at angle)/2}\let\offset at yy\pgfmathresult
+ \expandafter\grab_angle\list_angle\_nil
+ \pgfextractx\CF_dim{\pgfpointanchor{atom@@}\current_angle}\edef\CF_dimax{\the\CF_dim}%
+ \pgfextracty\CF_dim{\pgfpointanchor{atom@@}\current_angle}\edef\CF_dimay{\the\CF_dim}%
+ \pgfmathparse{#1*sin(\current_angle)/2}\let\offset_xx\pgfmathresult
+ \pgfmathparse{#1*cos(\current_angle)/2}\let\offset_yy\pgfmathresult
\draw[line width=.4pt,overlay]
- (\CF at dimax-\offset at xx,\CF at dimay+\offset at yy)--(\CF at dimax+\offset at xx,\CF at dimay-\offset at yy);%
- \unless\ifx\@empty\list at angle
+ (\CF_dimax-\offset_xx,\CF_dimay+\offset_yy)--(\CF_dimax+\offset_xx,\CF_dimay-\offset_yy);%
+ \unless\ifx\empty\list_angle
\repeat
\endtikzpicture
}
-\def\grab at angle#1,#2\@nil{\def\current at angle{#1}\def\list at angle{#2}}
-\makeatother
+\def\grab_angle#1,#2\_nil{\def\current_angle{#1}\def\list_angle{#2}}
+\catcode`\_8
Essai : \mylewis{Cl}{15}\qquad \mylewis[3ex]{Cl}{-60}\qquad \mylewis[1.5ex]{Cl}{60,120,240,300}
\bigskip
@@ -1624,9 +1669,9 @@
(-[:144]Cl)(-[:-144]Cl)-\mylewis{Cl}{0,90,-90}}|
\subsection{Dessiner des liaisons multiples}
-Again, the ``decorations.markings'' librairy allows to draw multiple bonds:
+Again, the ``decorations.markings'' library allows to draw multiple bonds:
-\exemple*{Liaisons multiples}|\catcode`\@=11
+\exemple*{Liaisons multiples}|\catcode`_=11
\tikzset{nbond/.style args={#1}{%
draw=none,%
decoration={%
@@ -1633,9 +1678,9 @@
markings,%
mark=at position 0 with {\coordinate (CFstart@) at (0,0);},
mark=at position 1 with {%
- \foreach\CF at i in{0,1,...,\number\numexpr#1-1}{%
- \pgfmathsetmacro\CF at nbondcoeff{\CF at i-0.5*(#1-1)}%
- \draw ([yshift=\CF at nbondcoeff\CF at double@sep]CFstart@)--(0,\CF at nbondcoeff\CF at double@sep);
+ \foreach\CF_i in{0,1,...,\number\numexpr#1-1}{%
+ \pgfmathsetmacro\CF_nbondcoeff{\CF_i-0.5*(#1-1)}%
+ \draw ([yshift=\CF_nbondcoeff\CF_doublesep]CFstart@)--(0,\CF_nbondcoeff\CF_doublesep);
}%
}
},
@@ -1642,7 +1687,7 @@
postaction={decorate}
}
}
-\catcode`\@=12
+\catcode`\_=8
\chemfig{A-[1,,,,nbond=4]B-[:-30,,,,nbond=5]C-[6,,,,nbond=6]D}|
\part{Reaction schemes}\label{schemas}
@@ -1736,7 +1781,7 @@
\schemestart[0,1,black] A\arrow B\arrow C\schemestop/
-Regarding style, the rule is: the style specified in the argument in brackets applies \emph{after} the default style, without overwrting it! This is why only the ``black'' color attribute is able to overwrite the `` blue'' default style.
+Regarding style, the rule is: the style specified in the argument in brackets applies \emph{after} the default style, without overwriting it! This is why only the ``black'' color attribute is able to overwrite the `` blue'' default style.
Finally, the \falseverb{\arrow} command accepts an optional argument in brackets in the form \verb-[angle,coeff,style]- to change the feature of that given arrow. As above, style applies \emph{after} the default style and \emph{after} the style possibly-specified in the optional argument of the \verb-\schemestart- command, again without overwrting them.
\exemple[50]{Arrows features}/\schemestart
@@ -1764,7 +1809,7 @@
A\arrow(aa--)B\arrow(bb--)C\arrow(cc--dd)D\arrow E
\schemestop/
Note that both methods are equivalent. Therefore, compounds can either be named by arrows preceding or following them. However, when a \falseverb{compound} is surrounded by two arrows specifying its name, the first name is ignored and a warning message is generated:
-\exemple[50]{Overful naming}/\setchemfig{scheme debug=true}
+\exemple[50]{Overfull naming}/\setchemfig{scheme debug=true}
\schemestart
A\arrow(--foo)B\arrow(bar--)C
\schemestop/
@@ -1857,7 +1902,7 @@
A\arrow(--foo[yshift=5mm])B
\schemestop/
-\label{setcompoundstyle}The macro \falseverb\setcompoundstyle\verb-{<code tikz>}- allows to globally define the style of compounds displayed thereafter. Entering an empty argument results in the absence of style, which corresponds to the default case.
+\label{setcompoundstyle}The macro \falseverb\setcompoundstyle\Verb-{<code tikz>}- allows to globally define the style of compounds displayed thereafter. Entering an empty argument results in the absence of style, which corresponds to the default case.
Here a style is defined with round corner-shaped boxes and semitransparent background:
\exemple[50]{Global styles}/\setchemfig{compound style={draw,line width=0.8pt,
@@ -1897,7 +1942,7 @@
\schemestop/
\section{Subscheme}\label{subscheme}
-A fraction of the reaction scheme can be defined within a single bounding box, so that \CF treats it as a \falseverb{compound}. The reaction scheme fraction is defined inside the compulsory argument between braces of the \falseverb{\subscheme} command so it is subsequently reagarded as a single entity. When \falseverb{\subscheme} is located after an arrow, the command labels this subscheme as a \falseverb{compound} named ``c<n+1>'':
+A fraction of the reaction scheme can be defined within a single bounding box, so that \CF treats it as a \falseverb{compound}. The reaction scheme fraction is defined inside the compulsory argument between braces of the \falseverb{\subscheme} command so it is subsequently regarded as a single entity. When \falseverb{\subscheme} is located after an arrow, the command labels this subscheme as a \falseverb{compound} named ``c<n+1>'':
\exemple[50]{Subscheme}/\setchemfig{scheme debug=true}
\schemestart
A\arrow
@@ -1913,15 +1958,17 @@
\arrow
D
\schemestop/
-Note that since ``\falseverb\subscheme\verb-{<scheme>}-'' is only a convenient shortcut for
+Note that since ``\falseverb\subscheme\Verb-{<scheme>}-'' is only a convenient shortcut for
\begin{center}
-\falseverb\schemestart\verb-<scheme>-\falseverb\schemestop
+\falseverb\schemestart\Verb-<scheme>-\falseverb\schemestop
\end{center}
Consequently, it can be used with the same optional arguments as \falseverb\schemestart.
\label{chemleft}\CF provides the \falseverb{\chemleft} and \falseverb{\chemright} command pair. These allow to set expandable delimiters on either side of a material. The commands must be followed by delimiters, just like in the case of \TeX{} primitive commands \verb-\left- and \verb-\right-:
-\centerverb/\chemleft<car1><material>\chemright<car2>/
-where \verb-<car1>- and \verb-<car2>- can be ``('' et ``)'' or ``['' and ``]'', or any other expandable delimiter consistent with the \verb-\left- et \verb-\right- commands.
+\begin{center}
+ \Verb/\chemleft<car1><material>\chemright<car2>/
+\end{center}
+where \Verb-<car1>- and \Verb-<car2>- can be ``('' et ``)'' or ``['' and ``]'', or any other expandable delimiter consistent with the \verb-\left- et \verb-\right- commands.
\exemple{The \string\chemleft\ and \string\chemright macros}/\chemleft\lfloor\chemfig{A-[1]B}\chemright)
\chemleft\{\chemfig{A-[1,1.25]B-[6,1.25]C}\chemright|
@@ -1935,7 +1982,9 @@
D
\schemestop/
\label{chemup}By analogy, the macros \falseverb{\chemup} and \falseverb{\chemdown} can be used to draw expandable delimiters above and below the material, respectively:
-\centerverb/\chemup<car1><material>\chemdown<car2>/
+\begin{center}
+ \Verb/\chemup<car1><material>\chemdown<car2>/
+\end{center}
For example:
\exemple{The \string\chemup\ and \string\chemdown macros}/\schemestart[-90]
X\arrow
@@ -1985,7 +2034,7 @@
\arrow(@c1-- at c5){}
\arrow(@c1-- at c4){}
\schemestop/
-The center of the subscheme is exactly located on the same vertical lign as the center of compound "A". This is because the two entities are connected by an invisible arrow with a $-90 $ angle. However, the arrow between the two pre-existing compounds ``A'' and ``tsoin'' is \emph{not} vertical because ``tsoin'' is not on the center of the subscheme since "tagada" is wider than "end". If this arrow is to be vertical within the use of the \falseverb{\subscheme} command, one must find a correct angle for the arrival anchor of the invisible arrow by try-and-error.
+The center of the subscheme is exactly located on the same vertical line as the center of compound "A". This is because the two entities are connected by an invisible arrow with a $-90 $ angle. However, the arrow between the two pre-existing compounds ``A'' and ``tsoin'' is \emph{not} vertical because ``tsoin'' is not on the center of the subscheme since "tagada" is wider than "end". If this arrow is to be vertical within the use of the \falseverb{\subscheme} command, one must find a correct angle for the arrival anchor of the invisible arrow by try-and-error.
A much simpler method is to use a branch instead of a subscheme: draw a \emph{visible} arrow between ``A'' and ``tsoin'', and then draw horizontal arrows on both sides of ``tsoin'', with a branch for the right-hand side arrows.
\exemple[50]{Subscheme}/\setchemfig{scheme debug=true}
@@ -2038,7 +2087,7 @@
\exemple[50]{Vertical arrows}/\schemestart
A\arrow{->[up][down]}[-90]B
\schemestop/
-For the sake of clarity, one may prefer to have the ``above'' and ``below'' labels written horizontally. Label angles can be specified, while default is the same angle as that of the arrow. To choose a specific angle, \verb-*{<angle>}- can be written at the beginning of the optional arguments:
+For the sake of clarity, one may prefer to have the ``above'' and ``below'' labels written horizontally. Label angles can be specified, while default is the same angle as that of the arrow. To choose a specific angle, \Verb-*{<angle>}- can be written at the beginning of the optional arguments:
\exemple[55]{Choice of angles}/\setchemfig{scheme debug=true}
\schemestart A\arrow{->[*{0}up][*{0}down]}[90]B\schemestop
\qquad
@@ -2052,7 +2101,7 @@
\schemestart
A\arrow{->[*{0}on top of][*{0}underneath]}[45,2]B
\schemestop/
-To counter this, the anchoring position can be specified as well to override the one selected by \CF by default. The syntax for this is: \verb-*{<angle>.<ancre>}-.
+To counter this, the anchoring position can be specified as well to override the one selected by \CF by default. The syntax for this is: \Verb-*{<angle>.<ancre>}-.
\exemple[50]{Anchors}/\setchemfig{scheme debug=true}
\schemestart
A\arrow{->[*{0.0}on top of][*{0.180}underneath]}[45,2]B
@@ -2094,17 +2143,17 @@
The \falseverb{\definearrow} command allows to build custom arrows. Its syntax is:
-\hfill\verb-\definearrow{<number>}{<arrow name>}{<code>}-\hfill\null
+\hfill\Verb-\definearrow{<number>}{<arrow name>}{<code>}-\hfill\null
-where \verb-<number>- is the number of optional arguments that will be used in the \verb-<code>-, with the usual syntax \verb-#1-, \verb-#2-, etc. These optional arguments cannot accept default values; if no value is specified upon using the macro \verb-\arrow-, the arguments will remain empty.
+where \Verb-<number>- is the number of optional arguments that will be used in the \Verb-<code>-, with the usual syntax \verb-#1-, \verb-#2-, etc. These optional arguments cannot accept default values; if no value is specified upon using the macro \verb-\arrow-, the arguments will remain empty.
-Before going further, let's examine the available internal macros when drawing arrows. Since these macros include the \verb- at - character in their name, they can only be accessed through the \falseverb{\makeatletter} and \falseverb{\makeatother} commands.
+Before going further, let's examine the available internal macros when drawing arrows. Since these macros include the "\verb- at -" character in their name, they can only be accessed between \verb|\catcode`\_=11| and \verb|\catcode`\_=8| commands.
\begin{itemize}
- \item \falseverb{\CF at arrow@start at name} and \falseverb{\CF at arrow@end at name} include the names of the compounds (considered as nodes by \TIKZ) between which the arrow is drawn;
- \item \falseverb{\CF at arrow@start at node} and \falseverb{\CF at arrow@end at node} include the node names where arrow ends will be located. After these names, user-defined anchors can be specified in the argument between brackets of the \falseverb\arrow command, unless the field is left empty;
- \item \falseverb{\CF at arrow@current at style} and \falseverb{\CF at arrow@current at angle} contain the style and the angle of the arrow to be drawn;
- \item \falseverb{\CF at arrow@shift at nodes}\verb-{<dim>}- shifts the nodes ``\falseverb{\CF at arrow@start at node}'' and ``\falseverb{\CF at arrow@end at node}'' perpendicularly relative to the arrow by a dimension specified in the argument;
- \item \falseverb{\CF at arrow@display at label}\verb/{#1}{#2}{#3}{#4}{#5}{#6}{#7}{#8}/ is the most complex one. It gives the labels position with the following arguments:
+ \item \falseverb{\CF_arrowstartname} and \falseverb{\CF_arrowendname} include the names of the compounds (considered as nodes by \TIKZ) between which the arrow is drawn;
+ \item \falseverb{\CF_arrowstartnode} and \falseverb{\CF_arrowendnode} include the node names where arrow ends will be located. After these names, user-defined anchors can be specified in the argument between brackets of the \falseverb\arrow command, unless the field is left empty;
+ \item \falseverb{\CF_arrowcurrentstyle} and \falseverb{\CF_arrowcurrentangle} contain the style and the angle of the arrow to be drawn;
+ \item \falseverb{\CF_arrowshiftnodes}\Verb-{<dim>}- shifts the nodes ``\falseverb{\CF_arrowstartnode}'' and ``\falseverb{\CF_arrowendnode}'' perpendicularly relative to the arrow by a dimension specified in the argument;
+ \item \falseverb{\CF_arrowdisplaylabel}\verb/{#1}{#2}{#3}{#4}{#5}{#6}{#7}{#8}/ is the most complex one. It gives the labels position with the following arguments:
\begin{itemize}
\item \verb-#1- and \verb-#5- are the labels to be written;
\item \verb-#2- and \verb-#6- are real numbers between 0 and 1. They specify the location of the labels on the arrow. 0 is the beginning of the arrow and 1 is its end, assuming a \emph{straight} arrow;
@@ -2111,34 +2160,34 @@
\item \verb-#3- and \verb-#7- are the ``+'' or ``-'' characters. ``+'' displays the label above the arrow, while ``-'' does it below it;
\item \verb-#4- and \verb-#8- are the names of the nodes corresponding to the beginning and the end of the arrow.
\end{itemize}
- \item arrow heads are absed on ``\verb-CF-'' for a full arrow and have the ``harpoon'' option for half arrows.
+ \item arrow heads are based on ``\verb-CF-'' for a full arrow and have the ``harpoon'' option for half arrows.
\end{itemize}
\subsection{First arrow}
As an example, assume we want to make an arrow with a circle on its center. Let's call it ``\verb/-.>/''. This arrow will accept four optional arguments. Like for previously-defined arrows, the first and second arguments will be the labels to be located above and below the arrow. The third one will define the perpendicular shift relative to the arrow direction. Finally, the 4th argument will define the circle size. If this last argument is absent the default circle size will be equal to 2pt.
-Let's start with \verb/\definearrow{4}{-.>}/ to declare that the arrow will have 4 optional arguments and that it will be called \verb/-.>/. First, the position of the nodes between which the arrow is to be drawn must be modified in order to take the third-argument shift into account. This is made with the macro \falseverb{\CF at arrow@shift at nodes}, so the code of the arrow will start with: \falseverb{\CF at arrow@shift at nodes}\verb-{#3}%-. Then, one must plot the arrow itself, while taking the opportunity to set a node on the center of the segment, which will be called "\verb-mid at point-". Finally, the circle is defined with its center on that node. The whole \TIKZ code is:
+Let's start with \verb/\definearrow{4}{-.>}/ to declare that the arrow will have 4 optional arguments and that it will be called \verb/-.>/. First, the position of the nodes between which the arrow is to be drawn must be modified in order to take the third-argument shift into account. This is made with the macro \falseverb{\CF_arrowshiftnodes}, so the code of the arrow will start with: \falseverb{\CF_arrowshiftnodes}\verb-{#3}%-. Then, one must plot the arrow itself, while taking the opportunity to set a node on the center of the segment, which will be called "\verb-mid at point-". Finally, the circle is defined with its center on that node. The whole \TIKZ code is:
-{\hskip2em\verb-\edef\pt at radius{\ifx\@empty#4\@empty 2pt\else #4\fi}% circle radius-\par\parskip0pt
-\hskip2em\verb/\expandafter\draw\expandafter[\CF at arrow@current at style,-CF]/\par
-\hskip4em\verb/(\CF at arrow@start at node)--(\CF at arrow@end at node)coordinate[midway](mid at point);/\par
-\hskip2em\verb-\filldraw(mid at point)circle(\pt at radius);%-}
+{\hskip2em\verb-\edef\pt_radius{\ifx\empty#4\empty 2pt\else #4\fi}% circle radius-\par\parskip0pt
+\hskip2em\verb/\expandafter\draw\expandafter[\CF_arrowcurrentstyle,-CF]/\par
+\hskip4em\verb/(\CF_arrowstartnode)--(\CF_arrowendnode)coordinate[midway](mid at point);/\par
+\hskip2em\verb-\filldraw(mid at point)circle(\pt_radius);%-}
The last step is to enter the labels, if any, with the folwing line:
-\hskip2em\verb/\CF at arrow@display at label{#1}{0.5}{+}{\CF at arrow@start at node}{#2}{0.5}{-}{\CF at arrow@end at node}/
+\hskip2em\verb/\CF_arrowdisplaylabel{#1}{0.5}{+}{\CF_arrowstartnode}{#2}{0.5}{-}{\CF_arrowendnode}/
Here is the completed arrow:
-\exemple*{Arrow ``-.>''}/\makeatletter
+\exemple*{Arrow ``-.>''}/\catcode`\_11
\definearrow4{-.>}{%
- \edef\pt at radius{\ifx\@empty#4\@empty 2pt\else #4\fi}% dot radius
- \CF at arrow@shift at nodes{#3}%
- \expandafter\draw\expandafter[\CF at arrow@current at style,-CF](\CF at arrow@start at node)--(\CF at arrow@end at node)
+ \edef\pt_radius{\ifx\empty#4\empty 2pt\else #4\fi}% dot radius
+ \CF_arrowshiftnodes{#3}%
+ \expandafter\draw\expandafter[\CF_arrowcurrentstyle,-CF](\CF_arrowstartnode)--(\CF_arrowendnode)
coordinate[midway](mid at point);
- \filldraw(mid at point)circle(\pt at radius);%
- \CF at arrow@display at label{#1}{0.5}{+}{\CF at arrow@start at node}{#2}{0.5}{-}{\CF at arrow@end at node}
+ \filldraw(mid at point)circle(\pt_radius);%
+ \CF_arrowdisplaylabel{#1}{0.5}{+}{\CF_arrowstartnode}{#2}{0.5}{-}{\CF_arrowendnode}
}
-\makeatother
+\catcode`\_8
\schemestart
A \arrow{-.>} B \arrow{-.>[above][below][][1pt]} C \arrow{-.>[][below]}[30] D \arrow{-.>[above][][5pt][1.5pt]} E
\schemestop/
@@ -2146,27 +2195,29 @@
\subsection{Curved arrow}
How about a curved arrow? To make things as simple as possible, assume it will have one single optional argument with the \TIKZ code that will specify the point(s) of control. If this argument is empty, a ``\verb/-CF/'' type arrow will be plotted.
-If \verb-#1- is not empty, attention should not be drawn to ``\falseverb{\CF at arrow@start at node}'' and ``\falseverb{\CF at arrow@end at node}'' which contain the node names of arrow ends positions, because the location of these nodes is already determined by the anchors calculated for \emph{straight} arrows! Instead we will use \falseverb{\CF at arrow@start at name} and \falseverb{\CF at arrow@end at name} which contain the names of the compound (which are nodes for \TIKZ), since the arrow must be plotted between them. Here's the \TIKZ code to draw the curved arrow between the two compounds:
+If \verb-#1- is not empty, attention should not be drawn to ``\falseverb{\CF_arrowstartnode}'' and ``\falseverb{\CF_arrowendnode}'' which contain the node names of arrow ends positions, because the location of these nodes is already determined by the anchors calculated for \emph{straight} arrows! Instead we will use \falseverb{\CF_arrowstartname} and \falseverb{\CF_arrowendname} which contain the names of the compound (which are nodes for \TIKZ), since the arrow must be plotted between them. Here's the \TIKZ code to draw the curved arrow between the two compounds:
-{\verb/\draw[shorten <=\CF at arrow@offset,shorten >=\CF at arrow@offset,\CF at arrow@current at style,-CF,/\par\parskip0pt
-\verb/(\CF at arrow@start at name).. controls #1 ..(\CF at arrow@end at name);%/}
+{\verb/\draw[shorten <=\CF_arrowoffset,shorten >=\CF_arrowoffset,\CF_arrowcurrentstyle,-CF,/\par\parskip0pt
+\verb/(\CF_arrowstartname).. controls #1 ..(\CF_arrowendname);%/}
-One must add a \TIKZ code to shorten the arrowby an amount \falseverb{\CF at arrow@offset} defined by \falseverb{\setarrowoffset}. Indeed, the nodes ar not the same as those for straight arrows (\falseverb{\CF at arrow@start at node} and \falseverb{\CF at arrow@end at node}). So before \falseverb{\CF at arrow@current at style}, the follwing code must be added:
-\centerverb/shorten <=\CF at arrow@offset, shorten >=\CF at arrow@offset/
+One must add a \TIKZ code to shorten the arrow by an amount \falseverb{\CF_arrowoffset} defined by \falseverb{\setarrowoffset}. Indeed, the nodes ar not the same as those for straight arrows (\falseverb{\CF_arrowstartnode} and \falseverb{\CF_arrowendnode}). So before \falseverb{\CF_arrowcurrentstyle}, the following code must be added:
+\begin{center}
+ \verb/shorten <=\CF_arrowoffset, shorten >=\CF_arrowoffset/
+\end{center}
this is the role the two lines after \verb-\else-.
So here is our curved arrow:
-\exemple*{Curved arrow}/\makeatletter
+\exemple*{Curved arrow}/\catcode`\_11
\definearrow1{s>}{%
-\ifx\@empty#1\@empty
- \expandafter\draw\expandafter[\CF at arrow@current at style,-CF](\CF at arrow@start at node)--(\CF at arrow@end at node);%
+\ifx\empty#1\empty
+ \expandafter\draw\expandafter[\CF_arrowcurrentstyle,-CF](\CF_arrowstartnode)--(\CF_arrowendnode);%
\else
- \def\curvedarrow at style{shorten <=\CF at arrow@offset,shorten >=\CF at arrow@offset,}%
- \CF at expadd@tocs\curvedarrow at style\CF at arrow@current at style
- \expandafter\draw\expandafter[\curvedarrow at style,-CF](\CF at arrow@start at name)..controls#1..(\CF at arrow@end at name);
+ \def\curvedarrow_style{shorten <=\CF_arrowoffset,shorten >=\CF_arrowoffset,}%
+ \CF_eaddtomacro\curvedarrow_style\CF_arrowcurrentstyle
+ \expandafter\draw\expandafter[\curvedarrow_style,-CF](\CF_arrowstartname)..controls#1..(\CF_arrowendname);
\fi
}
-\makeatother
+\catcode`\_8
\schemestart
A\arrow{s>}
B\arrow{s>[+(0.5cm,0.5cm)]}
@@ -2194,7 +2245,7 @@
\hfill\verb/\merge{dir}(n1.a1)(n2.a2)(...)(ni.ai)--(n.a[s])/\hfill\null
-where the ``\verb-ni-'' names before the double dash are those already-defined compounds from which outcoming arrows will merge into a single one. One can also specify the ``\verb-ai-'' anchor, when the default one is not convenient. Like for the \falseverb\arrow command, the command ``\verb-n.a[s]-'' includes the name, the anchor and the style of the target compound.
+where the ``\verb-ni-'' names before the double dash are those already-defined compounds from which out coming arrows will merge into a single one. One can also specify the ``\verb-ai-'' anchor, when the default one is not convenient. Like for the \falseverb\arrow command, the command ``\verb-n.a[s]-'' includes the name, the anchor and the style of the target compound.
\exemple[50]{The \string\merge command}/\schemestart
ABC\arrow[30]EFGHIJ\arrow[45]KLM\arrow[60]NO
@@ -2244,7 +2295,7 @@
\hfill\verb/\merge{dir}[labelup][labeldow](n1.a1)(n2.a2)(...)(ni.ai)--(n.a[s])[c1,c2,c,style]/\hfill\null
-All the features introduced before for arrow labelling can be implemented here as well, i.e. rotation angle and anchoring with the syntax \verb-*{angle.anchor}- entered just before the content of the label.
+All the features introduced before for arrow labeling can be implemented here as well, i.e. rotation angle and anchoring with the syntax \verb-*{angle.anchor}- entered just before the content of the label.
\exemple*{Labels of the \string\merge command}/\schemestart
ABC\arrow{<=>}[90]DEF\merge>[above][below](c1)(c2)--()[0.25,1,0.75]GHIJ
@@ -2268,10 +2319,10 @@
\schemestop/
\section{The + sign}\label{signe+}
-The use of a ``\falseverb\+'' macro that displays a ${}+{}$ sign is available between the commands \falseverb{\schemestart} and \falseverb{\schemestop}. This macro accepts an optional argument in braces with 3 dimensions in the form \verb-{<dim1>,<dim2>,<dim3>}-, where:
+The use of a ``\falseverb\+'' macro that displays a ${}+{}$ sign is available between the commands \falseverb{\schemestart} and \falseverb{\schemestop}. This macro accepts an optional argument in braces with 3 dimensions in the form \Verb-{<dim1>,<dim2>,<dim3>}-, where:
\begin{itemize}
- \item \verb-<dim1>- and \verb-<dim2>- are the dimensions to be inserted before and after the ${}+{}$ sign;
- \item \verb-<dim3>- is the vertical offset of the sign.
+ \item \Verb-<dim1>- and \Verb-<dim2>- are the dimensions to be inserted before and after the ${}+{}$ sign;
+ \item \Verb-<dim3>- is the vertical offset of the sign.
\end{itemize}
These dimensions can also be set, for all the following ${}+{}$ signs with the \chevrons{keys} \CFkv{+ sep left}{dim}, \CFkv{+ sep right}{dim} et \CFkv{+ vshift}{dim}. The default values are 0.5em for the two first and 0pt for the third.
@@ -2336,9 +2387,8 @@
\begin{center}
\begin{longtable}{>\footnotesize l>\footnotesize p{9cm}}\\\hline
\hfill\normalsize Commands\hfill\null &\hfill\normalsize Description\hfill\null\\\hline
-\falseverb\chemfig\verb-<code>-& draws the molecule whose design is described by the \verb-<code>-\\
-\falseverb\chemfig\verb-*<code>-&same as above but bonds have fixed lengths\\
-\verb|\setchemfig|& sets the parameters with the syntax \chevrons{key}${}={}$\chevrons{value}. Here is the full list of keys with the default values:
+\Verb-\chemfig[<settings>]{<code>}-& draws the molecule whose design is described by the \Verb-<code>-\\
+\Verb|\setchemfig{<settings>}|& sets the parameters with the syntax \chevrons{key}${}={}$\chevrons{value}. Here is the full list of keys with the default values:
\begin{itemize}
\item \CFkv{chemfig style} {{}}: style given to \TIKZ
\item \CFkv{atom style} {{}}: style of \TIKZ nodes (atoms)
@@ -2360,6 +2410,7 @@
\item \CFkv{lewis style} {{}}: style of Lewis decorations
\item \CFkv{lewis dist} {0.3em}: space between discs of the ":" Lewis decoration
\item \CFkv{lewis radius} {0.15ex}: radius of discs for Lewis decorations
+ \item \CFkv{lewis diag coeff} {1}: factor that multiplies the distance to Lewis decorations in odd directions
\item \CFkv{cycle radius coeff} {0.75}: shrinkage ratio of the circle or arc inside cycles
\item \CFkv{stack sep} {1.5pt}: vertical gap between arguments of \verb-\chemabove- and \verb-\chembelow- macros
\item \CFkv{compound style} {{}}: style of compounds
@@ -2368,9 +2419,9 @@
\item \CFkv{arrow angle} {0}: angle of the reaction arrow
\item \CFkv{arrow coeff} {1}: length ratio of arrows
\item \CFkv{arrow style} {{}}: style of arrows
- \item \CFkv{arrow double sep} {2pt}: space between double arroxs
+ \item \CFkv{arrow double sep} {2pt}: space between double arrows
\item \CFkv{arrow double coeff} {0.6}: shrinkage ratio for the little arrow in "<->>" and "<<->"
- \item \CFkv{arrow double harpoon}{true}: booléen for double harpoon arrows
+ \item \CFkv{arrow double harpoon}{true}: boolean for double harpoon arrows
\item \CFkv{arrow label sep} {3pt}: space between arrow and its label
\item \CFkv{arrow head} {-CF}: style of arrow head
\item \CFkv{+ sep left} {0.5em}: space before the $+$ sign
@@ -2378,31 +2429,33 @@
\item \CFkv{+ vshift} {0pt}: vertical shift of the $+$ sign
\end{itemize}
\\
+\verb|\resetchemfig|&Reset the parameters to their default values\\
\falseverb\printatom& displays the atoms within the molecules. It can be redefined to customize the output. See page~\pageref{perso.affichage}\\
\falseverb\hflipnext&the next molecule will be horizontally flipped\\
\falseverb\vflipnext&the next molecule will be vertically flipped\\
-\falseverb\definesubmol\verb-{<nom>}[code1]{<code2>}- & creates an alias \verb-!<nom>- which can be put in the code of molecules to be drawn, and which will be replaced with \verb-<code1>- or \verb-<code2>- depending on the angle of the last bond. See page~\pageref{definesubmol}\\
+\Verb-\definesubmol{<name>}<n>[<code1>]{<code2>}- & creates an alias \Verb-!<name>- which can be put in the code of molecules to be drawn, and which will be replaced with \Verb-<code1>- or \Verb-<code2>- depending on the angle of the last bond. See page~\pageref{definesubmol}\\
\falseverb\chemskipalign& tells the vertical alignment mechanism to ignore the current group of atoms. See page~\pageref{chemskipalign}.\\
-\falseverb\redefinesubmol\verb-{<nom>}{<code>}- & replaces a preexisting alias \verb-!<name>- with the new \verb-<code>-. See page~\pageref{redefinesubmol}\\[2ex]\hline
+\Verb-\redefinesubmol{<name>}<n>[<code1>]{<code2>}- & replaces a preexisting alias \Verb-!<name>- with the new \Verb-<code>-. See page~\pageref{redefinesubmol}\\[2ex]\hline
&\\
-\falseverb\lewis\verb-[coeff]{<codes>,<atome>}-& displays the \verb-<atom>- and places Lewis dot decorations as specified in the \verb-<code>-. The dots drawn do not change the bounding box. See page~\pageref{lewis}\\
-\falseverb\Lewis\verb-[coeff]{<codes>,<atome>}-& displays the \verb-<atom>- and places Lewis dot decorations as specified in the \verb-<code>-. See page~\pageref{lewis}\\
-\falseverb\chemmove\verb-[<tikz options>]<tikz code>-& Makes a \verb-tikzpicture- environment, adding to it the \verb-<tikz options>-. Uses the \verb-<tikz code>- to join the nodes specified in the molecules with the help pf the ``\verb- at -'' character. See page~\pageref{mecanismes-reactionnels}.\\[2ex]\hline
+\Verb-\lewis[coeff]{<codes>,<atom>}-& displays the \Verb-<atom>- and places Lewis dot decorations as specified in the \Verb-<code>-. The dots drawn do not change the bounding box. See page~\pageref{lewis}\\
+\Verb-\Lewis[coeff]{<codes>,<atom>}-& displays the \Verb-<atom>- and places Lewis dot decorations as specified in the \Verb-<code>-. See page~\pageref{lewis}\\
+\Verb-\chemmove[<tikz options>]<tikz code>-& Makes a \verb-tikzpicture- environment, adding to it the \verb-<tikz options>-. Uses the \Verb-<tikz code>- to join the nodes specified in the molecules with the help pf the ``\verb- at -'' character. See page~\pageref{mecanismes-reactionnels}.\\[2ex]\hline
&\\
-\falseverb\chemabove\verb-[<dim>]{<txt1>}{txt2}- & writes \verb-<txt1>- and places \verb-<txt2>- above, leaving \verb-<dim>- of vertical space. This command does not change the bounding box of \verb-<txt1>-. See page~\pageref{chemabove}\\
-\falseverb\chembelow\verb-[<dim>]{<txt1>}{txt2}- & writes \verb-{txt1}- and places \verb-<txt2>- below, leaving \verb-<dim>- of vertical space. This command does not change the bounding box of \verb-<txt1>-. See page~\pageref{chemabove}\\
-\falseverb\Chemabove\verb-[<dim>]{<txt1>}{txt2}- & writes \verb-<txt1>- and places \verb-<txt2>- above, leaving \verb-<dim>- of vertical space. See page~\pageref{chemabove}\\
-\falseverb\Chembelow\verb-[<dim>]{<txt1>}{txt2}- & writes \verb-{txt1}- and places \verb-<txt2>- below, leaving \verb-<dim>- of vertical space. See page~\pageref{chemabove}\\
-\falseverb\chemname\verb-[<dim>]{<molecule>}{<name>}- & Places \verb-<name>- under the \verb-<molecule>-\\
+\Verb-\chemabove[<dim>]{<txt1>}{txt2}- & writes \Verb-<txt1>- and places \Verb-<txt2>- above, leaving \Verb-<dim>- of vertical space. This command does not change the bounding box of \Verb-<txt1>-. See page~\pageref{chemabove}\\
+\Verb-\chembelow[<dim>]{<txt1>}{txt2}- & writes \Verb-{txt1}- and places \Verb-<txt2>- below, leaving \Verb-<dim>- of vertical space. This command does not change the bounding box of \Verb-<txt1>-. See page~\pageref{chemabove}\\
+\Verb-\Chemabove[<dim>]{<txt1>}{txt2}- & writes \Verb-<txt1>- and places \Verb-<txt2>- above, leaving \Verb-<dim>- of vertical space. See page~\pageref{chemabove}\\
+\Verb-\Chembelow[<dim>]{<txt1>}{txt2}- & writes \Verb-{txt1}- and places \Verb-<txt2>- below, leaving \Verb-<dim>- of vertical space. See page~\pageref{chemabove}\\
+\Verb-\chemname[<dim>]{<molecule>}{<name>}- & Places \Verb-<name>- under the \Verb-<molecule>-\\
\falseverb\chemnameinit & Initializes the greatest molecule depth to ensure correct alignment of the names of the following molecules.\\[2ex]\hline
&\\
\falseverb\schemestart\dots\falseverb\schemestop& commands between which a reaction scheme is drawn. See page~\pageref{schemestart}.\\
\falseverb\arrow& draws an arrow in a reaction scheme (this command is only defined inside a reaction scheme). See page~\pageref{arrow}.\\
\falseverb\+ & prints a $+$ sign in a reaction scheme (this command is only defined inside a reaction scheme). See page~\pageref{signe+}.\\
-\falseverb\subscheme\verb-{<code>}- & draws a subscheme (this command is only defined inside a reaction scheme). Voir~\pageref{subscheme}.\\
+\falseverb\subscheme\Verb-{<code>}- & draws a subscheme (this command is only defined inside a reaction scheme). See~\pageref{subscheme}.\\
\falseverb\definearrow & defines an arrow. See page~\pageref{definearrow}.\\
-\falseverb\chemleft\verb-<car1><stuff>-\falseverb\chemright\verb-<car1>-& draws expandable delimiters defined with \verb-<car1>- and \verb-<car2>- on the left and on the right of the \verb-<stuffl>-, see page~\pageref{chemleft}.\\
-\falseverb\chemup\verb-<car1><matériel>-\falseverb\chemdown\verb-<car1>-& draws expandable delimiters defined with \verb-<car1>- and \verb-<car2>- above and below the \verb-<stuff>-, voir page~\pageref{chemup}.\\\hline
+\Verb-\chemleft<car1><stuff>-\falseverb\chemright\Verb-<car1>-& draws expandable delimiters defined with \Verb-<car1>- and \Verb-<car2>- on the left and on the right of the \Verb-<stuff>-, see page~\pageref{chemleft}.\\
+\Verb-\chemup<car1><stuff>-\falseverb\chemdown\Verb-<car1>-& draws expandable delimiters defined with \Verb-<car1>- and \Verb-<car2>- above and below the \Verb-<stuff>-, see page~\pageref{chemup}.\\
+\Verb|\polymerdelim[<settings]{<node1>}{node2>}|& draws delimiters at specified nodes, see page~\pageref{polymerdelim}\\\hline
\end{longtable}
\end{center}
\newpage
@@ -2410,7 +2463,7 @@
\part{Gallery}
This manual concludes with drawings of molecules of varying complexity.
-The curious user can look at the \verb-<code>- of each molecule, though it does become less attractive the more complex the molecule gets. Indeed, beyond a certain level of complexity, though it it is fairly easy to write \verb-<code>-, it becomes much harder to read the \verb-<code>- to analyze it afterwards. We quickly reached the limits of immediate readability of the code of a complex drawing.
+The curious user can look at the \Verb-<code>- of each molecule, though it does become less attractive the more complex the molecule gets. Indeed, beyond a certain level of complexity, though it it is fairly easy to write \Verb-<code>-, it becomes much harder to read the \Verb-<code>- to analyze it afterwards. We quickly reached the limits of immediate readability of the code of a complex drawing.
Anyway, I hope that this package will help all \LaTeX{} users wishing to draw molecules. Although \CF has been thoroughly tested and although its version number is now greater than 1.0, I hope that you will be forgiving with bugs you encounter and send me an \href{mailto:unbonpetit at netc.fr}{\texttt{\textbf{email}}} to let me know of any malfunctions or suggestions for improvement.
@@ -2769,27 +2822,6 @@
\chemnameinit{}/
\endgroup
-\exemple*{Crystallography}/\newcommand\disk{\tikz\draw[fill=black,overlay](0,0)circle(2pt);}
-\setchemfig{atom sep=20pt,bond offset=2pt}
-\renewcommand\printatom[1]{#1}
-\definesubmol{hat}{-[:40,1.5]\disk-[::-30,2]\disk-[::-30,2]\disk-[::-120,2]\disk-[::-30,2]\disk}
-\definesubmol{motif}{-[:40,1.5]\disk(-[2,3])-[::-30,2]\disk
-(-[2,3])-[::-30,2]\disk(-[2,3])-[::-120,2]\disk(-[2,3])-[::-30,2]\disk}
-\chemfig{\disk?[a](-[2,3]\disk?[b](-[2,3]\disk?[c]!{hat}?[c])!{motif}?[b](-[2,3]))!{motif}?[a](-[2,3])}
-\qquad
-\redefinesubmol{motif}{\disk(-[2,3])(-[:42,3.6,,,draw=none]\disk)-[:30,2.6]\disk
-(-[2,3])-[0,3]\disk(-[2,3])-[:-150,2.6]\disk(-[4,3])-[2,3]-[4,3]}
-\redefinesubmol{hat}{\disk-[:30,2.6]\disk-[0,3]\disk-[:-150,2.6]\disk-[4,3]}
-\chemfig{!{motif}!{motif}!{hat}}
-\qquad
-\redefinesubmol{motif}{(-[2,3])(-[:25,2.75,,,white]-[2,1.5,,,white]\disk)-[:50,3]\disk
-(-[2,3])-[::-50,3]\disk(-[2,3])-[::-130,3]\disk-[2,3]-[4,3]\disk}
-\redefinesubmol{hat}{-[:50,3]\disk-[::-50,3]\disk-[::-130,3]\disk}
-\chemfig{-[4,3]\disk!{motif}(-[:25,2.75,,,draw=none]\disk?[uat]?[dat](-[::0,2.75]?[uat1]?[dat1]
--[::-90,1.3]\disk?[uat2]?[dat2])-[::-90,1.3]-[:25,2.75])!{hat}?[uat3]?[dat3]-[:50,1.5]
-(-[6,1.5,,,draw=none]\disk?[dat,,,blue]?[dat1,,,blue]?[dat2,,,blue]?[dat3,,,blue])
--[2,1.5,,,draw=none]\disk?[uat,,,red]?[uat1,,,red]?[uat2,,,red]?[uat3,,,red]}/
-
\exemple*{Taxotere}/\chemfig{-[::-30](-[5])(-[7])-[::+60]-[::-60]O-[::+60](=[::-45]O)-[::+90]HN>:[::-60](-[::+60]**6(------))
-[::-30](<:[2]OH)-[::-60](=[6]O)-[::+60]O>:[::-60]*7(---?(<[::-120]OH)-(<|[1]CH_3)(<:[::-90]CH_3)
-(-[1](<[::+80]HO)-[0](=[::+60]O)-[7](<|[::+130]CH_3)(-[::+75](<|[2]OH)-[::-60]-[::-60](<[::+30]O-[::-90])
Modified: trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-fr.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-fr.tex
===================================================================
--- trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-fr.tex 2019-05-04 21:11:40 UTC (rev 50982)
+++ trunk/Master/texmf-dist/doc/generic/chemfig/chemfig-fr.tex 2019-05-04 21:12:17 UTC (rev 50983)
@@ -3,7 +3,7 @@
\usepackage[T1]{fontenc}
\usepackage[a4paper,margin=2.5cm,footskip=10mm]{geometry}
\usepackage[bottom]{footmisc}
-\usepackage{libertine,amsmath,array,longtable,xspace,fancybox,boites,textcomp,enumitem,chemfig,fancyhdr}
+\usepackage{libertine,amsmath,array,longtable,xspace,fancybox,boites,textcomp,enumitem,chemfig,fancyhdr,multicol}
\usepackage[scaled=0.8]{luximono}
\usetikzlibrary{decorations.pathmorphing}
\usetikzlibrary{decorations.markings}
@@ -105,17 +105,18 @@
\endgroup
}
+\begingroup
+ \catcode`\<13 \catcode`\>13
+ \gdef\Verb{\relax\ifmmode\hbox\else\leavevmode\null\fi
+ \bgroup
+ \verb at eol@error \let\do\@makeother \dospecials
+ \verbatim at font\@noligs
+ \catcode`\<13 \catcode`\>13 \def<{\begingroup$\langle$\itshape}\def>{\/$\rangle$\endgroup}%
+ \@ifstar\@sverb\@verb}
+\endgroup
+
\newcommand\falseverb[1]{{\ttfamily\detokenize\expandafter{\string#1}}}
-\long\def\centerverb#1{%
- \def\centerverb at i##1#1{##1\hfill\null\par\egroup}%
- \bgroup
- \ttfamily\@noligs
- \parskip3.5pt\par\hfill
- \let\do\@makeother\dospecials
- \@vobeyspaces
- \centerverb at i}
-
\def\CFfrdate at i#1/#2/#3\@nil{\number#3\relax\ifnum#3=1 \ier{}\fi\space \ifcase#2 \or janvier\or février\or mars\or avril\or mai\or juin\or juillet\or aout\or septembre\or octobre\or novembre\or décembre\fi\space#1}
\edef\CFfrdate{\expandafter\CFfrdate at i\CFdate\@nil}
@@ -152,6 +153,7 @@
\titleformat{\part}[display]{\normalfont\filcenter\sffamily\bfseries}{}{0pt}{\Huge}
\begin{document}
+\topsep=3pt plus5pt minus2pt\relax
\begin{titlepage}
\catcode`!12
\begin{tikzpicture}[remember picture,overlay]
@@ -213,101 +215,48 @@
\setitemize{leftmargin=3em,topsep=0pt,parsep=0pt,itemsep=0pt,label=--}
\part{Introduction}
-\section{Nouveau dans la v1.3}
-\subsection{Nouveau dans la v1.33}
-\paragraph{Arguments pour les sous-molécules}
-À partir de la version 1.33, les sous-molécules définies avec \verb|\definesubmol| peuvent avoir des arguments, voir page~\pageref{definesubmolarg}.
+\section{Nouveau dans la v1.4}
+\subsection{Caractère privé}
+Dans le code de \CF, le caractère utilisé dans le nom des macros privées est «\verb|_|» (underscore) et non plus «\verb|@|» (arobe) : le préfixe des macros privées de \CF est «\verb|\CF_|». La majorité des utilisateurs de \CF ne doit pas devrait pas être concernée par ce changement, mais l'élaboration ou la maintenance de codes spécifiques tel que ceux présentés à la section «Créer ses propres flèches» à la page~\pageref{definearrow} qui font appel à des macros privées doit conduire à tenir compte de ce changement de catcode; cela va donc nécessiter une \emph{mise à jour du nom des macros} pour ceux qui ont eu recours aux macros privées de \CF. Pour rendre possible l'utilisation de «\verb|_|» dans les noms des macros, on doit exécuter l'ordre «\verb|\catcode`\_=11|» et pour revenir à un l'état normal «\verb|\catcode`\_=8|».
-\paragraph{Délimiteur de polymère}
-La macro \verb|\polymerdelim| permet de tracer des délimiteurs sur des molécules tracées par \CF, voir page~\pageref{polymerdelim}.
+\subsection{Caractère \#}
+Tous ceux qui programment en \TeX{} connaissent les extrêmes précautions qui doivent être prises avant d'utiliser le caractère «\verb|#|». Ce caractère est autorisé dans le code représentant la molécule, mais pour des raisons de fonctionnement interne à \TeX, il sera doublé si la commande \verb|\chemfig| se trouve dans l'argument d'une macro (comme \verb|\fbox| dans l'exemple ci-dessous). Pour éviter ce doublement, on peut écrire \verb|\#| ou avoir recours à la macro \verb|\CFhash| :
-\subsection{Nouveau dans la v1.3}
-\paragraph{Système de clés et valeur}Compte tenu du grand nombre de paramètres et du nombre de macros qui servent à les spécifier, une uniformisation est devenue nécessaire, autant pour simplifier l'utilisation de \CF que pour faciliter la création de nouveaux paramètres.
+\exemple{Caractère \#}/\setchemfig{atom sep=5em}\fboxsep=1pt
+1) \chemfig{A#-B_#-C^#}\par
+2) \fbox{\chemfig{A#-B_#-C^#}}\par
+3) \fbox{\chemfig{A\#-B_\#-C^\#}}\par
+4) \fbox{\chemfig{A\CFhash-B_\CFhash-C^\CFhash}}/
-La plupart des \chevrons{paramètres} sont désormais spécifiés \emph{via} la macro \verb|\setchemfig| dont l'argument est une liste de \chevrons{clé}$=$\chevrons{valeur} séparées par des virgules. Bien qu'étant pour l'instant encore utilisables, toutes les macros qui spécifiaient un ou plusieurs paramètres sont désormais obsolètes.
-\begin{center}
- \color{red}
- \textbf{Attention} : toutes les macros obsolètes qui suivent seront supprimées dans une future version.
-\end{center}
-\begingroup
-\spaceskip=0.75em plus7pt minus 7pt
-\verb-\setcrambond-, \verb-\setatomsep-, \verb-\enablefixedbondlength-, \verb-\disablefixedbondlength-, \verb-\setbondoffset-, \verb-\setdoublesep-, \verb-\setangleincrement-, \verb-\setnodestyle-, \verb-\setbondstyle-, \verb-\setlewis-, \verb-\setlewisdist-, \verb-\setstacksep-, \verb-\setcompoundstyle-, \verb-\setarrowdefault-, \verb-\setandsign-, \verb-\setarrowoffset-, \verb-\setcompoundsep-, \verb-\setarrowlabelsep-, \verb-\enablebondjoin-, \verb-\disablebondjoin-, \verb-\schemedebug-.%
-\endgroup
+Pour la macro \verb|\definesubmol|, le caractère \verb|#| est également autorisé, mais son emploi est plus complexe car il recouvre plusieurs cas qui sont examinés à la page~\pageref{definesubmol}.
-Les exécuter envoie un message d'avertissement sur leur obsolescence dans le fichier log.
-
-\paragraph{La syntaxe de la macro \texttt{\textbackslash chemfig}}
+\subsection{Anciennes macros, nouvelle syntaxe}
+Les macros auparavant utilisées pour régler les paramètres de \CF sont abandonnées, ne sont plus définies et donc, \emph{produiront à une erreur de compilation} si elles sont exécutées:
\begin{center}
- \color{red}
- La version étoilée de la macro \verb-\chemfig- est désormais obsolète et ne sera plus supportée dans une future version.
+ \begin{tabular}{*3l}
+ \verb-\setcrambond-&\verb-\setatomsep-&\verb-\enablefixedbondlength-\\
+ \verb-\disablefixedbondlength-&\verb-\setbondoffset-&\verb-\setdoublesep-\\
+ \verb-\setangleincrement-&\verb-\setnodestyle-&\verb-\setbondstyle-\\
+ \verb-\setlewis-&\verb-\setlewisdist-&\verb-\setstacksep-\\
+ \verb-\setcompoundstyle-&\verb-\setarrowdefault-&\verb-\setandsign-\\
+ \verb-\setarrowoffset-&\verb-\setcompoundsep-&\verb-\setarrowlabelsep-\\
+ \verb-\enablebondjoin-&\verb-\disablebondjoin-&\verb-\schemedebug-
+ \end{tabular}
\end{center}
-Pour spécifier une longueur constante de liaisons, il faut utiliser la clé \CFkey{fixed length} et la positionner à \CFval{true}, voir page~\pageref{longueur.liaison}.
+Désormais, pour régler les paramètres de \CF on a le choix entre :
+\begin{itemize}
+ \item la macro \Verb|\setchemfig{<clés>=<valeurs>}| règle les paramètres selon la méthode de clés/valeurs pour le reste du document;
+ \item la macro \Verb|\chemfig[<clés>=<valeurs>]| reçoit dans son argument optionnel les paramètres valables uniquement pour cette molécule;
+ \item la macro \verb|\resetchemfig| restaure les paramètres à leurs valeurs par défaut.
+\end{itemize}
-Par ailleurs, les deux arguments optionnels que la macro \verb-\chemfig- acceptait, afin de spécifier des paramètres pour tikz sont également obsolètes. Désormais, les deux \chevrons{clés} \CFkey{chemfig style} et \CFkey{atom style} doivent être préférées, voir page~\pageref{arguments.optionnels}.
+La liste des paramètres et leurs valeurs par défaut est présentée à la page~\pageref{listeparametres}.
-Le but est qu'à terme, la macro \verb-\chemfig- n'accepte qu'\emph{un seul} argument optionnel contenant une liste de paramètres spécifiés via \chevrons{clé}$=$\chevrons{valeur}.
-\begin{center}
- \color{red}
- Les deux arguments optionnels que prend la macro \verb-\chemfig- seront supprimés dans une prochaine version
-\end{center}
+La syntaxe étoilée \verb|\chemfig*| n'est plus autorisée. Pour spécifier une longueur constante de liaisons, il faut utiliser la clé \CFkey{fixed length} et la positionner à \CFval{true}, voir page~\pageref{longueur.liaison}.
-\paragraph{Les clés et leur valeur par défaut}
-Les paramètres de chemfig, identifiés par leur \chevrons{clé} et leur \chevrons{valeur} par défaut sont :
-\begin{center}
-\begin{longtable}{rl}\hline
- \chevrons{clés} & \chevrons{valeurs} par défaut\\\hline\endhead
- \CFparam{chemfig style}
- \CFparam{atom style}
- \CFparam{bond join}
- \CFparam{fixed length}
- \CFparam{cram rectangle}
- \CFparam{cram width}
- \CFparam{cram dash width}
- \CFparam{cram dash sep}
- \CFparam{atom sep}
- \CFparam{bond offset}
- \CFparam{double bond sep}
- \CFparam{angle increment}
- \CFparam{node style}
- \CFparam{bond style}
- \CFparam{lewis | width}
- \CFparam{lewis sep}
- \CFparam{lewis length}
- \CFparam{lewis style}
- \CFparam{lewis dist}
- \CFparam{lewis radius}
- \CFparam{cycle radius coeff}
- \CFparam{stack sep}
- \CFparam{scheme debug}
- \CFparam{compound style}
- \CFparam{compound sep}
- \CFparam{arrow offset}
- \CFparam{arrow angle}
- \CFparam{arrow coeff}
- \CFparam{arrow style}
- \CFparam{arrow double sep}
- \CFparam{arrow double coeff}
- \CFparam{arrow double harpoon}
- \CFparam{arrow label sep}
- \CFparam{arrow head}
- \CFparam{+ sep left}
- \CFparam{+ sep right}
- \CFparam{+ vshift}\hline
-\end{longtable}
-\end{center}
+\subsection{Les macros \texttt{\textbackslash lewis} et \texttt{\textbackslash Lewis}}
+Ces deux macros subissent également un léger changement de syntaxe. Leur argument optionnel entre crochets n'est plus destiné à recevoir le coefficient d'espacement diagonal, mais des \Verb|<clés>=<valeurs>| afin que les paramètres puissent être spécifiés individuellement pour chaque appel de la macro \verb|\lewix| ou \verb|\Lewis|. Voir page~\pageref{lewis}.
-On peut à tout moment exécuter la macro \verb|\resetchemfig| pour remettre tous les paramètres à leur valeur par défaut.
-
-Les \chevrons{paramètres} suivants sont nouveaux et ne sont donc accessibles que \emph{via} la macro \verb|setchemfig|:
-\begin{enumerate}
- \item \CFkey{lewis radius} : est le rayon du disque d'une décoration de Lewis;
- \item \CFkey{arrow double sep} : est l'espacement vertical entre les doubles flèches dans les schémas réactionnels;
- \item \CFkey{arrow double coeff} : est le coefficient de rétrécissement de la petite flèche par rapport à la grande pour les flèches de type \verb|<->>| et \verb|<<->|;
- \item \CFkey{arrow double harpoon} : booléen qui spécifie si les doubles flèches doivent être « harpon » ou pas;
- \item \CFkey{cycle radius coeff} : représente le coefficient de rétrécissement du cercle ou de l'arc de cercle se trouvant dans les cycles;
- \item \CFkey{arrow head} : est le style de bout de flèche par défaut.
-\end{enumerate}
-
\section{Présentation}
Pour charger \CF, il faut écrire :
\begin{itemize}
@@ -318,14 +267,14 @@
Dans tous les cas, le package \TIKZ, s'il n'a pas été chargé auparavant, est chargé par \CF.
-La commande principale permettant de dessiner les molécules est \verb|\chemfig{<code>}|. L'argument \verb|<code>| est la suite de caractères décrivant le dessin de la molécule selon les règles qui seront exposées dans ce manuel.
+La commande principale permettant de dessiner les molécules est \Verb|\chemfig{<code>}|. L'argument \Verb|<code>| est la suite de caractères décrivant le dessin de la molécule selon les règles qui seront exposées dans ce manuel.
-Tout a été fait pour qu'il soit possible de dessiner le plus grand nombre de configurations de molécules chimiques, tout en privilégiant une syntaxe simple, souple et intuitive. Malgré tout, le \verb-<code>- qui décrit le dessin en 2D de la molécule voit sa complexité augmenter proportionnellement à celle de la molécule à dessiner.
+Tout a été fait pour qu'il soit possible de dessiner le plus grand nombre de configurations de molécules chimiques, tout en privilégiant une syntaxe simple, souple et intuitive. Malgré tout, le \Verb-<code>- qui décrit le dessin en 2D de la molécule voit sa complexité augmenter proportionnellement à celle de la molécule à dessiner.
La commande \verb|\chemfig| dessine une molécule en se servant de commandes de l'extension \TIKZ, placées à l'intérieur de l'environnement \verb|tikzpicture|. Le choix de \TIKZ implique que:
\begin{itemize}
\item l'utilisateur a le choix pour le moteur de compilation : pdf\LaTeX{} peut indifféremment être utilisé en mode dvi (tex $\longrightarrow$ dvi $\longrightarrow$ ps $\longrightarrow$ pdf) ou en mode pdf (tex $\longrightarrow$ pdf). En effet, \TIKZ, via la sous-couche \falseverb{pgf}, donne des résultats graphiques identiques dans les deux modes;
-\item la boîte englobante est automatiquement calculée par \TIKZ et l'utilisateur n'a pas à se préoccuper d'éventuels chevauchements avec le texte. En revanche il faut faire attention à la régularité des interlignes lorsque la molécule est dessinée dans un paragraphe. À titre d'exemple, on a tracé la boîte englobante pour cette molécule : {\fboxsep0pt \fbox{\chemfig{H_3C-C(-[:-30]OH)=[:30]O}}}. \CF placera toujours le premier atome de la molécule sur la \falseverb{ligne de base} du code qui précède.
+\item la boîte englobante est automatiquement calculée par \TIKZ et l'utilisateur n'a pas à se préoccuper d'éventuels chevauchements avec le texte. En revanche il faut faire attention à la régularité des interlignes lorsque la molécule est dessinée dans un paragraphe. À titre d'exemple, on a tracé la boîte englobante pour cette molécule : {\fboxsep0pt \fbox{\chemfig{H_3C-C(-[:-30]OH)=[:30]O}}}.
\end{itemize}
\section{Remerciements}
@@ -337,6 +286,75 @@
\part{Fonctionnement de \protect\CF}
Cette partie est consacrée à la description des fonctionnalités les plus courantes de \CF. L'utilisateur trouvera ici les explications suffisantes pour dessiner la plupart des molécules. La présentation des fonctionnalités est faite sous un angle théorique, et le but de cette partie n'est pas de dessiner de vraies molécules chimiques mais de donner à l'utilisateur une description formelle des fonctionnalités de \CF. La partie «Utilisation avancée», page~\pageref{utilisation.avancee}, sera plus pratique et dévoilera des fonctionnalités plus avancées pour les utilisations les plus pointues. On y mettra aussi en avant des méthodes pour construire de vraies molécules chimiques, page \pageref{exemples.commentes}. Enfin, la dernière partie présentera des molécules chimiques et le code utilisé pour les dessiner.
+\section{La macro \texttt{\textbackslash chemfig}}
+La macro \verb|\chemfig| a la syntaxe suivante
+\begin{center}
+ \Verb|\chemfig[liste de <clés>=<valeurs>]{<code molécule>}|
+\end{center}
+L'argument optionnel entre crochets spécifie les réglages des paramètres qui seront utilisés pour le tracé de la molécule. Il est à noter que les paramètres ainsi modifiés ne le sont \emph{que pour la molécule en cours} et seront restaurés à leurs valeurs précédentes une fois la macro terminée. Pour modifier de façon durable des paramètres, il faut passer par la macro \Verb|\setchemfig{<clés>=<valeurs>}|.
+
+Voici la liste exhaustive des paramètres ainsi que leurs valeurs par défaut\label{listeparametres}. Il faut noter que les \chevrons{clés} depuis \CFkey{scheme debug} inclus jusqu'à la fin de la liste concernent les schémas réactionnels et n'ont pas de sens dans l'argument optionnel de la macro \verb|\chemfig| où elles sont simplement ignorées :\par
+\leavevmode\hfill
+\begin{minipage}[t]{.45\linewidth}
+ \begin{longtable}{rl}\hline
+ \chevrons{clés} & \chevrons{valeurs} par défaut\\\hline\endhead
+ \CFparam{chemfig style}
+ \CFparam{atom style}
+ \CFparam{bond join}
+ \CFparam{fixed length}
+ \CFparam{cram rectangle}
+ \CFparam{cram width}
+ \CFparam{cram dash width}
+ \CFparam{cram dash sep}
+ \CFparam{atom sep}
+ \CFparam{bond offset}
+ \CFparam{double bond sep}
+ \CFparam{angle increment}
+ \CFparam{node style}
+ \CFparam{bond style}
+ \CFparam{lewis | width}
+ \CFparam{lewis sep}
+ \CFparam{lewis length}
+ \CFparam{lewis style}
+ \CFparam{lewis dist}\hline
+ \end{longtable}
+\end{minipage}\hfill
+\begin{minipage}[t]{.45\linewidth}
+ \begin{longtable}{rl}\hline
+ \chevrons{clés} & \chevrons{valeurs} par défaut\\\hline\endhead
+ \CFparam{lewis radius}
+ \CFparam{lewis diag coeff}
+ \CFparam{cycle radius coeff}
+ \CFparam{stack sep}
+ \CFparam{scheme debug}
+ \CFparam{compound style}
+ \CFparam{compound sep}
+ \CFparam{arrow offset}
+ \CFparam{arrow angle}
+ \CFparam{arrow coeff}
+ \CFparam{arrow style}
+ \CFparam{arrow double sep}
+ \CFparam{arrow double coeff}
+ \CFparam{arrow double harpoon}
+ \CFparam{arrow label sep}
+ \CFparam{arrow head}
+ \CFparam{+ sep left}
+ \CFparam{+ sep right}
+ \CFparam{+ vshift}\hline
+ \end{longtable}
+\end{minipage}\hfill\null\bigbreak
+
+Le \Verb|<code molécule>| contient les instructions pour tracer la molécule selon une syntaxe qui sera expliquée dans ce document. Il n'y a pas de restriction a priori sur les caractères acceptés dans ce code :
+\begin{itemize}
+ \item tous les caractères de catcode 11 ou 12, c'est-à-dire les lettres majuscules ou minuscules, les chiffres, les opérateurs mathématiques (\texttt+ \texttt- \texttt* \texttt/ \texttt=), les signes de ponctuation qu'ils soient actifs ou non (\verb|.| \verb|,| \verb|;| \verb|:| \verb|!| \verb|?| \verb|'| \verb|`| \verb|"| \verb-|-), les parenthèses et les crochets;
+ \item les caractères plus spéciaux tels que «\verb|~|», «\verb|#|»\footnote{Pour éviter que \texttt\# ne soit doublé lorsque la macro \texttt{\textbackslash chemfig} se trouve dans l'argument d'une macro, on peut utiliser à la place \texttt{\textbackslash\#} ou la macro \texttt{\textbackslash CFhash}.} ainsi que «\verb|^|» et «\verb|_|» qui ont leur propriétés normales du mode mathématique;
+ \item les espaces, mais ceux-ci sont ignorés par défaut car les atomes sont composés en mode mathématique;
+ \item les accolades «\verb|{|» et «\verb|}|» qui ont leur comportement normal de marqueurs de groupe ou délimiteurs d'argument de macro;
+ \item des macros.
+\end{itemize}
+
+Dans tous les cas, \CF placera \emph{sur la ligne de base courante le premier atome rencontré}, qu'il soit vide ou pas. Dans les exemples figurant dans ce document, la ligne de base est tracée en gris clair.
+
\section{Groupes d'atomes}
Intrinsèquement, le dessin d'une molécule chimique consiste à relier par des traits de différents types des groupes d'atomes. Ainsi, dans la molécule \chemfig{O=O}, il y a 2 groupes d'atomes, chacun constitué d'un seul atome «O».
@@ -375,20 +393,20 @@
\begin{tikzpicture}[every node/.style={anchor=base,inner sep=1.5pt,outer sep=0pt,minimum size=0pt},baseline]
\node[draw] at(0,0)(aa){\huge A};
\node[draw]at(4,0)(bb){\huge B};
- \path[shorten <=5pt,shorten >=5pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
+ \path[shorten <=10pt,shorten >=10pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(al){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=5pt]al){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=10pt]al){};
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(bl){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-5pt]bl){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-10pt]bl){};
\draw[blue,dash pattern=on 1pt off 1pt](bl)--([yshift=0.7cm]bl);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-5pt]bl)--([xshift=-5pt,yshift=0.7cm]bl);
- \draw[<->]([yshift=0.6cm]bl.center)--([xshift=-5pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-10pt]bl)--([xshift=-10pt,yshift=0.7cm]bl);
+ \draw[stealth-stealth]([yshift=0.6cm]bl.center)--([xshift=-10pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
\draw[blue,dash pattern=on 1pt off 1pt](al)--([yshift=0.7cm]al);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=5pt]al)--([xshift=5pt,yshift=0.7cm]al);
- \draw[<->]([yshift=0.6cm]al.center)--([xshift=5pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=10pt]al)--([xshift=10pt,yshift=0.7cm]al);
+ \draw[stealth-stealth]([yshift=0.6cm]al.center)--([xshift=10pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
\node[draw,circle,fill,red,minimum size=2pt,inner sep=0pt]at(aa){};
\node[draw,circle,fill,red,minimum size=2pt,inner sep=0pt]at(bb){};
- \draw[<->]([yshift=1cm]aa.center)--([yshift=1cm]bb.center) node [midway,above,draw=none] {$\Delta$} ;
+ \draw[stealth-stealth]([yshift=1cm]aa.center)--([yshift=1cm]bb.center) node [midway,above,draw=none] {$\Delta$} ;
\draw[red,dash pattern=on 2pt off2pt](aa.center)--([yshift=1.1cm]aa.center);
\draw[red,dash pattern=on 2pt off2pt](bb.center)--([yshift=1.1cm]bb.center);
\end{tikzpicture}
@@ -396,21 +414,20 @@
\label{atom sep}La \chevrons{clé} \CFkv{atom sep}{dim} règle cette distance interatome $\Delta$. Ce paramètre, comme tous les paramètres, agit sur toutes les molécules qui vont suivre.
-\exemple{Distance interatome}|\setchemfig{atom sep=2em}\chemfig{A-B}\par
-\setchemfig{atom sep=50pt}\chemfig{A-B}|
+\exemple{Distance interatome}|\chemfig[atom sep=2em]{A-B}\par
+\chemfig[atom sep=50pt]{A-B}|
\label{bond offset}La \chevrons{clé} \CFkv{bond offset}{dim} permet de régler l'espacement $\delta$ entre le trait représentant la liaison et l'atome. Sa valeur par défaut est 2pt.
-\exemple{Retrait des liaisons}|\setchemfig{bond offset=0pt}\chemfig{A-B}\par
- \setchemfig{bond offset=5pt}\chemfig{A-B}|
+\exemple{Retrait des liaisons}|\chemfig[bond offset=0pt]{A-B}\par
+\chemfig[bond offset=5pt]{A-B}|
Si deux liaisons se suivent, alors \CF insère un groupe vide \verb-{}-, et autour de ce groupe vide, l'espacement $\delta$ est nul :
\exemple{Groupes vides}/\chemfig{A-B=-=C}/
\label{bond style}La \chevrons{clé} \CFkv{bond style}{code tikz} définit le style de toutes les liaisons qui seront dessinées par la suite. Le \CFval{code tikz} est vide par défaut. Pour personnaliser les liaisons une par une, voir page~\pageref{perso-liaisons}.
-\exemple{Style des liaisons}/\setchemfig{bond style={line width=1pt,red}}
-\chemfig{A-B=C>|D<E>:F}/
+\exemple{Style des liaisons}/\chemfig[bond style={line width=1pt,red}]{A-B=C>|D<E>:F}/
-\label{modif.retrait}On peut spécifier l'espacement $\delta$ pour une seule liaison avec le caractère \verb-#-. Ce caractère doit se situer \emph{immédiatement} après le signe de liaison et dispose d'un argument obligatoire entre parenthèses de la forme «\verb-#(<dim1>,<dim2>)-», où \verb-<dim1>- représente l'espacement $\delta$ au début de la liaison et \verb-<dim2>- celui de la fin. Si \verb-<dim2>- est omis, l'espacement en fin de liaison prend la valeur de $\delta$ en vigueur à ce moment. On peut observer sur cet exemple comment le retrait, réglé à 4pt pour être plus visible, est rendu nul pour la liaison arrivant sur «B», puis partant de «B» et enfin pour les deux à la fois :
+\label{modif.retrait}On peut spécifier l'espacement $\delta$ pour une seule liaison avec le caractère \verb-#-. Ce caractère doit se situer \emph{immédiatement} après le signe de liaison et dispose d'un argument obligatoire entre parenthèses de la forme «\Verb-#(<dim1>,<dim2>)-», où \Verb-<dim1>- représente l'espacement $\delta$ au début de la liaison et \Verb-<dim2>- celui de la fin. Si \Verb-<dim2>- est omis, l'espacement en fin de liaison prend la valeur de $\delta$ en vigueur à ce moment. On peut observer sur cet exemple comment le retrait, réglé à 4pt pour être plus visible, est rendu nul pour la liaison arrivant sur «B», puis partant de «B» et enfin pour les deux à la fois :
\begingroup
\catcode`\#12
\exemple{Réglage fin du retrait des liaisons}/\setchemfig{bond offset=4pt}
@@ -432,10 +449,9 @@
Voici un exemple où les 3 dimensions sont modifiées :
-\exemple{Liaison de Cram modifiée}-\setchemfig{cram width=10pt,
- cram dash width=0.4pt,
- cram dash sep=1pt}
-\chemfig{A>B>:C>|D}-
+\exemple{Liaison de Cram modifiée}-\chemfig[cram width=10pt,
+ cram dash width=0.4pt,
+ cram dash sep=1pt]{A>B>:C>|D}-
\section{Angle d'une liaison}
Chaque liaison admet un argument optionnel qui se met entre crochet. Le contenu de cet argument optionnel permet de régler tout ce dont on a besoin pour la liaison. Cet argument optionnel est constitué de 5 champs séparés par des virgules qui sont autant d'arguments optionnels pour la liaison. Le premier de ces arguments définit l'angle optionnel de la liaison. Les angles vont croissant dans le sens trigonométrique et sont définis par rapport à l'horizontale. Si l'argument optionnel est vide, alors l'angle par défaut vaut 0\degres. Nous verrons plus loin comment modifier cet angle par défaut.
@@ -453,21 +469,20 @@
\exemple{Raccord entre liaisons}/\setchemfig{bond style={line width=3pt}}
\chemfig{-[1]-[7]} et
-\setchemfig{bond join=true}\chemfig{-[1]-[7]}/
+\chemfig[bond join=true]{-[1]-[7]}/
\label{angle increment}La \chevrons{clé} \CFkv{angle increment}{angle} permet de choisir un autre angle que celui de 45\degres{} sélectionné par défaut :
\exemple{Modification de l'angle prédéfini}/Par défaut (45) : \chemfig{-[1]-[-1]-[1]-[-1]}
-\setchemfig{angle increment=30}
-Angle de 30 : \chemfig{-[1]-[-1]-[1]-[-1]}/
+Angle de 30 : \chemfig[angle increment=30]{-[1]-[-1]-[1]-[-1]}/
\subsection{Angle absolu}
-Si on veut spécifier un angle en degrés avec l'horizontale, alors l'argument optionnel doit prendre cette forme : \verb-[:<angle absolu>]-. S'il le faut, l'\verb-<angle absolu>- est ramené dans l'intervalle $[0\;;\;360]$ :
+Si on veut spécifier un angle en degrés avec l'horizontale, alors l'argument optionnel doit prendre cette forme : \Verb-[:<angle absolu>]-. S'il le faut, l'\Verb-<angle absolu>- est ramené dans l'intervalle $[0\;;\;360]$ :
\exemple{Angles absolus}/\chemfig{A-[:30]B=[:-75]C-[:10]D-[:90]>|[:60]-[:-20]E-[:0]~[:-75]F}/
\subsection{Angle relatif}\label{angle.relatif}
-Il est souvent intéressant de spécifier pour une liaison l'angle qu'elle fera relativement à la précédente. On doit alors employer cette syntaxe pour l'argument optionnel : \verb-[::<angle relatif>]-. Le signe de l'\verb-<angle relatif>- peut être omis s'il s'agit d'un \verb-+-.
+Il est souvent intéressant de spécifier pour une liaison l'angle qu'elle fera relativement à la précédente. On doit alors employer cette syntaxe pour l'argument optionnel : \Verb-[::<angle relatif>]-. Le signe de l'\Verb-<angle relatif>- peut être omis s'il s'agit d'un \verb-+-.
Voici une molécule où les angles des liaisons augmentent de 20\degres{} à chacune après la première dont l'angle est absolu de $-5\degres$ :
\exemple{Suite d'angles relatifs}|\chemfig{A-[:-5]-[::+20]-[::20]B-[::+20]-[::20]C-[::20]}|
@@ -493,20 +508,20 @@
\begin{tikzpicture}[every node/.style={anchor=base,inner sep=1.5pt,outer sep=0pt,minimum size=0pt},baseline]
\node[draw] at(0,0)(aa){\huge A};
\node[draw]at(4,0)(bb){\huge B};
- \path[shorten <=5pt,shorten >=5pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
+ \path[shorten <=10pt,shorten >=10pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(al){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=5pt]al){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=10pt]al){};
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(bl){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-5pt]bl){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-10pt]bl){};
\draw[blue,dash pattern=on 1pt off 1pt](bl)--([yshift=0.7cm]bl);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-5pt]bl)--([xshift=-5pt,yshift=0.7cm]bl);
- \draw[<->]([yshift=0.6cm]bl.center)--([xshift=-5pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-10pt]bl)--([xshift=-10pt,yshift=0.7cm]bl);
+ \draw[stealth-stealth]([yshift=0.6cm]bl.center)--([xshift=-10pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
\draw[blue,dash pattern=on 1pt off 1pt](al)--([yshift=0.7cm]al);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=5pt]al)--([xshift=5pt,yshift=0.7cm]al);
- \draw[<->]([yshift=0.6cm]al.center)--([xshift=5pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=10pt]al)--([xshift=10pt,yshift=0.7cm]al);
+ \draw[stealth-stealth]([yshift=0.6cm]al.center)--([xshift=10pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
\node[draw,circle,fill,red,minimum size=2pt,inner sep=0pt]at(aa){};
\node[draw,circle,fill,red,minimum size=2pt,inner sep=0pt]at(bb){};
- \draw[<->]([yshift=1cm]aa.center)--([yshift=1cm]bb.center) node [midway,above,draw=none] {$\Delta$} ;
+ \draw[stealth-stealth]([yshift=1cm]aa.center)--([yshift=1cm]bb.center) node [midway,above,draw=none] {$\Delta$} ;
\draw[red,dash pattern=on 2pt off2pt](aa.center)--([yshift=1.1cm]aa.center);
\draw[red,dash pattern=on 2pt off2pt](bb.center)--([yshift=1.1cm]bb.center);
\end{tikzpicture}
@@ -514,18 +529,18 @@
\begin{tikzpicture}[every node/.style={anchor=base,inner sep=1.5pt,outer sep=0pt,minimum size=0pt},baseline]
\node[draw] at(0,0)(aa){\huge A};
\node[draw]at(5,0)(bb){\huge B};
- \path[shorten <=5pt,shorten >=5pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
+ \path[shorten <=10pt,shorten >=10pt,draw](aa)--(bb)coordinate[pos=0](al) coordinate[pos=1](bl);
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(al){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=5pt]al){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=10pt]al){};
\node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at(bl){};
- \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-5pt]bl){};
+ \node[draw,circle,fill,blue,minimum size=1.5pt,inner sep=0pt]at([xshift=-10pt]bl){};
\draw[blue,dash pattern=on 1pt off 1pt](bl)--([yshift=0.7cm]bl);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-5pt]bl)--([xshift=-5pt,yshift=0.7cm]bl);
- \draw[<->]([yshift=0.6cm]bl.center)--([xshift=-5pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=-10pt]bl)--([xshift=-10pt,yshift=0.7cm]bl);
+ \draw[stealth-stealth]([yshift=0.6cm]bl.center)--([xshift=-10pt,yshift=0.6cm]bl.center) node [midway,above,draw=none]{$\delta$};
\draw[blue,dash pattern=on 1pt off 1pt](al)--([yshift=0.7cm]al);
- \draw[blue,dash pattern=on 1pt off 1pt]([xshift=5pt]al)--([xshift=5pt,yshift=0.7cm]al);
- \draw[<->]([yshift=0.6cm]al.center)--([xshift=5pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
- \draw[<->]([yshift=1cm]al)--([yshift=1cm]bl) node [midway,above,draw=none] {$\Delta$} ;
+ \draw[blue,dash pattern=on 1pt off 1pt]([xshift=10pt]al)--([xshift=10pt,yshift=0.7cm]al);
+ \draw[stealth-stealth]([yshift=0.6cm]al.center)--([xshift=10pt,yshift=0.6cm]al.center) node [midway,above,draw=none]{$\delta$};
+ \draw[stealth-stealth]([yshift=1cm]al)--([yshift=1cm]bl) node [midway,above,draw=none] {$\Delta$} ;
\draw[red,dash pattern=on 2pt off2pt](al)--([yshift=1.1cm]al);
\draw[red,dash pattern=on 2pt off2pt](bl)--([yshift=1.1cm]bl);
\end{tikzpicture}
@@ -535,7 +550,7 @@
Afin que les cycles soient des polygones réguliers, le comportement par défaut est rétabli pour les liaisons des cycles, même si \CFkv{fixed length}{true}.
\exemple{Liaisons de longueur fixe}/\chemfig{Cl-Cl}\par
-\setchemfig{fixed length=true}\chemfig{Cl-Cl}/
+\chemfig[fixed length=true]{Cl-Cl}/
Notamment lorsque le comportement par défaut est en vigueur et pour se prémunir de liaisons trop courtes, il est parfois nécessaire de pouvoir augmenter (ou parfois réduire) la distance interatome. Pour cela, l'argument optionnel des liaisons est en réalité constitué de plusieurs champs séparés par des virgules. Comme on l'a vu, le premier champ spécifie l'angle. Le deuxième champ, s'il est non vide, est un coefficient qui multipliera la distance interatome $\Delta$ par défaut. Ainsi, écrire \verb+-[,2]+ demandera à ce que cette liaison ait l'angle par défaut (1\ier{} champ vide) et que les atomes qu'elle relie soit espacés d'une distance double de celle par défaut.
\exemple{Longueur de liaison modifiée}/\chemfig{A^{++}_{2}-[,2]B^{-}_3}\par
@@ -565,10 +580,10 @@
\chemfig{ABCD-[5]EFG}|
Dans certains cas, on peut désirer qu'une liaison parte d'autres atomes que ceux calculés par \CF On peut forcer un atome de départ ou un atome d'arrivée avec l'argument optionnel de la liaison. Il faut écrire :
-\centerverb/[,,<entier 1>,<entier 2>]/
-\smallskip
-
-où \verb-<entier 1>- et \verb-<entier 2>- sont les numéros des atomes de départ et d'arrivée souhaités. Il faut que ces atomes existent, sinon, un message d'erreur sera émis.
+\begin{center}
+ \Verb/[,,<entier 1>,<entier 2>]/
+\end{center}
+où \Verb-<entier 1>- et \Verb-<entier 2>- sont les numéros des atomes de départ et d'arrivée souhaités. Il faut que ces atomes existent, sinon, un message d'erreur sera émis.
\exemple{Atomes liés forcés}|\chemfig{ABCD-[:75,,2,3]EFG}\qquad
\chemfig{ABCD-[:75,,,2]EFG}\qquad
\chemfig{ABCD-[:75,,3,2]EFG}|
@@ -575,10 +590,11 @@
\section{Personnalisation des liaisons}\label{perso-liaisons}
Il existe un 5\ieme{} et dernier argument optionnel pour les liaisons qui se trouve à droite de la 4\ieme{} virgule :
-\centerverb/[,,,,<code tikz>]/
-\smallskip
+\begin{center}
+ \Verb/[,,,,<code tikz>]/
+\end{center}
-Ce \verb-<code tikz>- est passé directement à \TIKZ lorsque la liaison est tracée. On peut y mettre des attributs de couleur comme «\verb-red-», de pointillés comme «\verb-dash pattern=on 2pt off 2pt-», d'épaisseur comme «\verb-line width=2pt-» ou même de décoration si on a chargé une librairie de décoration de \TIKZ. On peut aussi rendre une liaison invisible en écrivant «\verb-draw=none-». Si on veut spécifier plusieurs attributs, on utilise la syntaxe de \TIKZ en les séparant par une virgule :
+Ce \Verb-<code tikz>- est passé directement à \TIKZ lorsque la liaison est tracée. On peut y mettre des attributs de couleur comme «\verb-red-», de pointillés comme «\verb-dash pattern=on 2pt off 2pt-», d'épaisseur comme «\verb-line width=2pt-» ou même de décoration si on a chargé une librairie de décoration de \TIKZ. On peut aussi rendre une liaison invisible en écrivant «\verb-draw=none-». Si on veut spécifier plusieurs attributs, on utilise la syntaxe de \TIKZ en les séparant par une virgule :
\exemple{Passage de code tikz}|\chemfig{A-[,,,,red]B}\par
\chemfig{A-[,,,,dash pattern=on 2pt off 2pt]B}\par
\chemfig{A-[,,,,line width=2pt]B}\par
@@ -594,13 +610,14 @@
\begin{itemize}
\item 0\degres{} pour l'angle des liaisons;
\item 1 pour le coefficient multiplication des longueurs;
- \item \verb-<vide>- pour les numéros de départ et d'arrivée des atomes, ce qui laisse à \CF le soin de calculer ceux-ci en fonction de l'angle de la liaison;
- \item \verb-<vide>- pour le paramètre passé à \TIKZ.
+ \item \Verb-<vide>- pour les numéros de départ et d'arrivée des atomes, ce qui laisse à \CF le soin de calculer ceux-ci en fonction de l'angle de la liaison;
+ \item \Verb-<vide>- pour le paramètre passé à \TIKZ.
\end{itemize}
On peut changer ces valeurs par défaut pour toute la molécule en débutant le code de la molécule par
-\centerverb/[<angle>,<coeff>,<n1>,<n2>,<code tikz>]/
-\smallskip
+\begin{center}
+ \Verb/[<angle>,<coeff>,<n1>,<n2>,<code tikz>]/
+\end{center}
Ainsi, si le code de la molécule commence par \verb-[:20,1.5]-, alors toutes les liaisons auront un angle de 20\degres{} par défaut et les distances interatomes une longueur qui vaut 1,5 fois la distance interatomes par défaut. On peut à tout moment ignorer ces valeurs par défaut en spécifiant un argument optionnel, comme pour la liaison qui suit l'atome «C» de cet exemple :
\exemple{Écrasement des valeurs par défaut}|\chemfig{[:20,1.5]A-B-C-[:-80,0.7]D-E-F}|
@@ -610,7 +627,7 @@
\section{Ramifications}
\subsection{Principe}
-Jusqu'à présent, toutes les molécules étaient linéaires, ce qui est rare. On peut attacher une sous molécule à un atome faisant suivre cet atome d'un \verb-<code>- entre parenthèses. Ce \verb-<code>- est le code d'une sous molécule qui viendra d'attacher sur l'atome.
+Jusqu'à présent, toutes les molécules étaient linéaires, ce qui est rare. On peut attacher une sous molécule à un atome faisant suivre cet atome d'un \Verb-<code>- entre parenthèses. Ce \Verb-<code>- est le code d'une sous molécule qui viendra d'attacher sur l'atome.
Dans cet exemple, la sous molécule «\verb/-[1]W-X/» vient s'attacher sur l'atome «B» :
\exemple{Ramification}|\chemfig{A-B(-[1]W-X)-C}|
@@ -656,16 +673,16 @@
\exemple{Plusieurs liaisons éloignées}|\chemfig{A-B(-[1]W-X?)(-[7]Y-Z?)-C?}|
Maintenant, imaginons que nous devions laisser ces liaisons distantes \verb/X-C/ et \verb/X-Z/, tout en ajoutant une autre : \verb/A-W/. Il faut donc poser deux crochets \emph{différents}, l'un sur \verb/A/ et l'autre sur \verb/X/. En fait, le caractère \verb/?/ a un argument optionnel :
-\centerverb/?[<nom>,<liaison>,<tikz>]/
-\smallskip
-
+\begin{center}
+ \Verb/?[<nom>,<liaison>,<tikz>]/
+\end{center}
où chaque champ prend sa valeur par défaut s'il est vide :
\begin{itemize}
- \item le \verb-<nom>- est le nom du crochet : tous les caractères alphanumériques (a..z, A..Z, 0..9) sont admis\footnote{Ce n'est pas totalement exact. En réalité, tous les caractères pouvant être mis entre \texttt{\string\csname...\string\endcsname} sont autorisés.}. Ce nom vaut «\verb-a-» par défaut. Seul ce champ est pris en compte lors de la première occurrence de ce crochet portant ce nom.
- \item \verb-<liaison>- spécifie avec quelle liaison l'atome portant cette occurrence du crochet doit être reliée a l'atome portant la première occurrence. Deux cas de figure sont possibles; soit ce champ est un entier représentant le type de liaison voulu : 1=liaison simple, 2=liaison double, etc. Voir le tableau page~\pageref{types.liaisons} pour les codes des liaisons.
+ \item le \Verb-<nom>- est le nom du crochet : tous les caractères alphanumériques (a..z, A..Z, 0..9) sont admis\footnote{Ce n'est pas totalement exact. En réalité, tous les caractères pouvant être mis entre \texttt{\string\csname...\string\endcsname} sont autorisés.}. Ce nom vaut «\verb-a-» par défaut. Seul ce champ est pris en compte lors de la première occurrence de ce crochet portant ce nom.
+ \item \Verb-<liaison>- spécifie avec quelle liaison l'atome portant cette occurrence du crochet doit être reliée a l'atome portant la première occurrence. Deux cas de figure sont possibles; soit ce champ est un entier représentant le type de liaison voulu : 1=liaison simple, 2=liaison double, etc. Voir le tableau page~\pageref{types.liaisons} pour les codes des liaisons.
- Soit la \verb-<liaison>- est constituée des caractères codant la liaison, à condition que ces caractères soient \emph{entre accolades};
- \item \verb-<tikz>- sera passé directement à \TIKZ comme on l'a vu avec les liaisons classiques.
+ Soit la \Verb-<liaison>- est constituée des caractères codant la liaison, à condition que ces caractères soient \emph{entre accolades};
+ \item \Verb-<tikz>- sera passé directement à \TIKZ comme on l'a vu avec les liaisons classiques.
\end{itemize}
Voici notre molécule avec les liaisons distantes requises, puis avec les liaisons \verb/A-W/ et \verb/X-C/ personnalisées :
@@ -683,12 +700,12 @@
L'exemple précédent montre comment tracer un polygone régulier, mais la méthode est fastidieuse puisque les angles dépendent du nombre de côté du polygone.
\subsection{Syntaxe}
-\CF peut tracer des polygones réguliers facilement. L'idée est d'attacher un cycle à un \verb/<atome>/ extérieur à ce cycle avec cette syntaxe :
-\centerverb/<atome>*<n>(<code>)/
-\smallskip
+\CF peut tracer des polygones réguliers facilement. L'idée est d'attacher un cycle à un \Verb/<atome>/ extérieur à ce cycle avec cette syntaxe :
+\begin{center}
+ \Verb/<atome>*<n>(<code>)/
+\end{center}
+\Verb/<n>/ est le nombre de côtés du polygone et le \Verb/<code>/ représente les liaisons et les groupes d'atomes qui constituent ses sommets et arêtes. Ce code \emph{doit} commencer par une liaison puisque l'atome se trouve à l'extérieur du cycle.
-\verb/<n>/ est le nombre de côtés du polygone et le \verb/<code>/ représente les liaisons et les groupes d'atomes qui constituent ses sommets et arêtes. Ce code \emph{doit} commencer par une liaison puisque l'atome se trouve à l'extérieur du cycle.
-
Voici un 5-cycle, attaché a l'atome «\verb/A/» :
\exemple{5-cycle}|\chemfig{A*5(-B=C-D-E=)}|
@@ -701,13 +718,13 @@
\exemple{5-cycle tronqué}|\chemfig{A*5(-B=C-D-E=F-G=H-I)}|
Il est possible de dessiner un cercle ou un arc de cercle à l'intérieur d'un cycle. Pour cela, on utilise cette syntaxe :
-\centerverb/<atome>**[<angle 1>,<angle 2>,<tikz>]<n>(<code>)/
-\smallskip
-
+\begin{center}
+ \Verb/<atome>**[<angle 1>,<angle 2>,<tikz>]<n>(<code>)/
+\end{center}
où chaque champ de l'argument optionnel prend sa valeur par défaut s'il est vide :
\begin{itemize}
- \item \verb/<angle 1>/ et \verb/<angle 2>/ sont les angles absolus de départ et de fin de l'arc de cercle. Ceux-ci valent 0\degres{} et 360\degres{} de telle sorte qu'un cercle complet est tracé par défaut;
- \item \verb/<tikz>/ est le code qui sera passé à \TIKZ pour le dessin de l'arc de cercle.
+ \item \Verb/<angle 1>/ et \Verb/<angle 2>/ sont les angles absolus de départ et de fin de l'arc de cercle. Ceux-ci valent 0\degres{} et 360\degres{} de telle sorte qu'un cercle complet est tracé par défaut;
+ \item \Verb/<tikz>/ est le code qui sera passé à \TIKZ pour le dessin de l'arc de cercle.
\end{itemize}
\exemple{Cycles et arcs de cercle}|\chemfig{**6(------)}\quad
@@ -736,10 +753,10 @@
\subsection{Ramifications partant d'un cycle}
Pour faire partir une ramification d'un des sommets du cycle, on emploie la syntaxe déjà vue :
-\centerverb/<atome>(<code>)/
-\smallskip
-
-où le \verb/<code>/ est celui de la sous molécule et l'\verb-<atome>- occupe le sommet. Une chose particulière aux cycles est que l'angle par défaut de la sous molécule n'est pas 0\degres{} mais est calculé de telle sorte qu'il soit la bissectrice des côtés partant du sommet :
+\begin{center}
+ \Verb/<atome>(<code>)/
+\end{center}
+où le \Verb/<code>/ est celui de la sous molécule et l'\Verb-<atome>- occupe le sommet. Une chose particulière aux cycles est que l'angle par défaut de la sous molécule n'est pas 0\degres{} mais est calculé de telle sorte qu'il soit la bissectrice des côtés partant du sommet :
\exemple{Ramification partant d'un cycle}|\chemfig{X*6(-=-(-A-B=C)=-=-)}|
On peut faire partir une sous molécule du premier sommet du cycle, ainsi que de tous les autres sommets :
@@ -781,18 +798,19 @@
\exemple{Atomes de départ et d'arrivée imposés}|\chemfig{AB*5(-CDE-[,,1]F-[,,,1]GH-I-)}|
\section{Représentation des déplacements d'électrons}\label{mecanismes-reactionnels}
-Depuis la version 0.3 de \CF, on peut représenter les déplacements d'électrons des effets mésomères ou des mécanismes réactionnels. Cela est rendu possible en marquant le point de départ et le point d'arrivée de la flèche que l'on utilise pour indiquer la migration des électrons à l'aide de la syntaxe «\verb-@{<argument>}-». Cette syntaxe permet de poser un nœud (au sens de \TIKZ) en rendant ce nœud accessible en dehors de l'argument de la commande \verb-\chemfig- grâce à l'option «\texttt{remember picture}» qui est passée à tous les environnements «\falseverb{tikzpicture}». Cela suppose que le visualiseur prenne en charge le «\falseverb{picture remembering}» et que la compilation soit lancée deux fois.
+Depuis la version 0.3 de \CF, on peut représenter les déplacements d'électrons des effets mésomères ou des mécanismes réactionnels. Cela est rendu possible en marquant le point de départ et le point d'arrivée de la flèche que l'on utilise pour indiquer la migration des électrons à l'aide de la syntaxe «\Verb-@{<argument>}-». Cette syntaxe permet de poser un nœud (au sens de \TIKZ) en rendant ce nœud accessible en dehors de l'argument de la commande \verb-\chemfig- grâce à l'option «\texttt{remember picture}» qui est passée à tous les environnements «\falseverb{tikzpicture}». Cela suppose que le visualiseur prenne en charge le «\falseverb{picture remembering}» et que la compilation soit lancée deux fois.
Deux cas de figure peuvent se présenter, on peut poser :
\begin{itemize}
- \item un nœud de dimension nulle sur une liaison en utilisant la syntaxe «\verb-@{<nom>,<coeff>}-» placée immédiatement au début de l'argument optionnel de la liaison concernée sans être suivi d'une virgule s'il y a un premier argument optionnel. Dans ce cas, le nœud portera le nom «\verb-<nom>-» et le \verb-<coeff>-, compris entre 0 et 1, déterminera où le nœud se situera sur la liaison. Si on utilise «\verb-@{<nom>}-», le \verb-<coeff>- prend la valeur de 0.5 par défaut ce qui signifie que le nœud est posé au milieu de la liaison;
- \item un nœud sur un atome en utilisant la syntaxe «\verb-@{<nom>}-» immédiatement avant l'atome concerné. Dans ce cas, le nœud a exactement le même encombrement que l'atome, il peut notamment être vide et donc avoir des dimensions nulles.
+ \item un nœud de dimension nulle sur une liaison en utilisant la syntaxe «\Verb-@{<nom>,<coeff>}-» placée immédiatement au début de l'argument optionnel de la liaison concernée sans être suivi d'une virgule s'il y a un premier argument optionnel. Dans ce cas, le nœud portera le nom «\Verb-<nom>-» et le \Verb-<coeff>-, compris entre 0 et 1, déterminera où le nœud se situera sur la liaison. Si on utilise «\Verb-@{<nom>}-», le \Verb-<coeff>- prend la valeur de 0.5 par défaut ce qui signifie que le nœud est posé au milieu de la liaison;
+ \item un nœud sur un atome en utilisant la syntaxe «\Verb-@{<nom>}-» immédiatement avant l'atome concerné. Dans ce cas, le nœud a exactement le même encombrement que l'atome, il peut notamment être vide et donc avoir des dimensions nulles.
\end{itemize}
-Une fois que la commande \falseverb{\chemfig} a dessiné la (ou les) molécule(s) et a posé les nœuds avec la syntaxe décrite ci dessus, on peut relier ces nœuds entre eux avec les instructions de \TIKZ. Ces instructions seront placées dans l'argument de la commande \verb-\chemmove-\footnote{En réalité, la commande \texttt{\string\chemmove} place son argument dans un environnement «\falseverb{tikzpicture}» dans lequel les options sont «\texttt{remember picture,overlay}».} et auront la syntaxe suivante si par exemple, on doit relier un nœud portant le nom «\verb-<nom1>-» au nœud portant le nom «\verb-<nom2>-» :
-\centerverb|\chemmove[<opt>]{\draw[<opt tikz>](<nom1>)<link tikz>(<nom2>);}|
-\smallskip
+Une fois que la commande \falseverb{\chemfig} a dessiné la (ou les) molécule(s) et a posé les nœuds avec la syntaxe décrite ci dessus, on peut relier ces nœuds entre eux avec les instructions de \TIKZ. Ces instructions seront placées dans l'argument de la commande \verb-\chemmove-\footnote{En réalité, la commande \texttt{\string\chemmove} place son argument dans un environnement «\falseverb{tikzpicture}» dans lequel les options sont «\texttt{remember picture,overlay}».} et auront la syntaxe suivante si par exemple, on doit relier un nœud portant le nom «\Verb-<nom1>-» au nœud portant le nom «\Verb-<nom2>-» :
+\begin{center}
+ \Verb|\chemmove[<opt>]{\draw[<opt tikz>](<nom1>)<link tikz>(<nom2>);}|
+\end{center}
-L'argument optionnel \verb-<opt>- de la commande \verb-\chemmove- sera ajouté à l'argument de l'environnement \falseverb{tikzpicture} dans lequel seront tracées les liaisons entre les nœuds. Les instructions \verb-<opt tikz>- et \verb-<link tikz>- sont exhaustivement décrites dans la documentation de l'extension \TIKZ.
+L'argument optionnel \Verb-<opt>- de la commande \verb-\chemmove- sera ajouté à l'argument de l'environnement \falseverb{tikzpicture} dans lequel seront tracées les liaisons entre les nœuds. Les instructions \Verb-<opt tikz>- et \Verb-<link tikz>- sont exhaustivement décrites dans la documentation de l'extension \TIKZ.
\subsection{Effets mésomères}
Pour fixer les idées prenons l'exemple d'un effet mésomère impliquant une double liaison et un doublet non liant conjugués. Commençons par la possible délocalisation des électrons de la double liaison. On va poser un nœud nommé «db» (double bond) au milieu de la double liaison et un nœud nommé «a1» sur l'extrémité de la double liaison.
@@ -810,8 +828,9 @@
Comme on l'a dit, on remarque qu'il n'y pas de virgule derrière le nœud posé dans les arguments optionnels d'une liaison. On écrit «\verb|=_[@{db}::30]|» et non pas «\verb|=_[@{db},::30]|» comme on serait tenté de le faire.
Pour relier les nœuds «db» et «a1», nous avons utilisé la syntaxe suivante :
-\centerverb|\chemmove{\draw(db)..controls +(100:5mm) and +(145:5mm)..(a1);}|
-\medskip
+\begin{center}
+ \Verb|\chemmove{\draw(db)..controls +(100:5mm) and +(145:5mm)..(a1);}|
+\end{center}
Le style de flèche par défaut dans \verb|\chemmove| est «CF». Dans cet exemple nous demandons une flèche (\verb/[->]/) et nous utilisons 2 points de contrôle\footnote{Pour connaître toutes les façons de relier deux nœuds avec \TIKZ, lire la documentation de ce package.}. Ceux-ci seront situés en coordonnées polaires à 100\degres{} et 5~mm de «db» pour le premier et à 145\degres{} et 5~mm de «a1» pour le second. Il ne faut pas être effrayé par cette syntaxe qui peut paraître compliquée en première lecture car son utilisation se réduit dans la plupart des cas à un simple copier-coller dans lequel on modifie juste le nom des nœuds et les coordonnées polaires des points de contrôle. Ce que nous allons vérifier tout de suite avec l'ajout d'une flèche partant du doublet non liant (nœud «dnl») vers la liaison simple (nœud «sb»).
\exemple{Effet mésomère 2}/\schemestart
@@ -888,7 +907,7 @@
\draw(dnl)..controls +(90:1cm)and+(north:1cm)..(atoc);
\draw[shorten >=6pt](db)..controls +(north:5mm)and+(100:1cm)..(atoh);}/
-L'utilisation de la commande \verb|\chemabove{<code>}{<materiel>}| ne change pas les dimensions de la boîte englobante du \verb|<code>|. Pour cette raison on peut rencontrer certaines difficultés pour pointer sur le matériel indiquant la charge portée ($\oplus$ ou $\ominus$). Dans l'exemple ci-dessus la solution est de créer un point de contrôle avec un angle de 110\degres{} à 1~cm de «atoh» et de raccourcir la flèche de 6pt. Dans l'exemple suivant, seconde étape de la réaction d'estérification, on peut voir que la flèche peut prendre des formes plus compliquées sans forcément surcharger le code.
+L'utilisation de la commande \Verb|\chemabove{<code>}{<matériel>}| ne change pas les dimensions de la boîte englobante du \Verb|<code>|. Pour cette raison on peut rencontrer certaines difficultés pour pointer sur le matériel indiquant la charge portée ($\oplus$ ou $\ominus$). Dans l'exemple ci-dessus la solution est de créer un point de contrôle avec un angle de 110\degres{} à 1~cm de «atoh» et de raccourcir la flèche de 6pt. Dans l'exemple suivant, seconde étape de la réaction d'estérification, on peut voir que la flèche peut prendre des formes plus compliquées sans forcément surcharger le code.
\exemple{Estérification: étape 2}/\setchemfig{atom sep=7mm}
\chemfig{R-O-C(-[2]R)(-[6]OH)-@{dnl}\lewis{26,O}H}\hspace{1cm}
\chemfig{@{atoh}\chemabove{H}{\scriptstyle\oplus}}
@@ -900,10 +919,11 @@
\section{Écrire un nom sous une molécule}\label{chemname}
Pour plus de commodité, \CF permet d'écrire le nom d'une molécule sous celle-ci avec la commande
-\centerverb/\chemname[<dim>]{\chemfig{<code de la molécule>}}{<nom>}/
-\smallskip
+\begin{center}
+ \Verb/\chemname[<dim>]{\chemfig{<code de la molécule>}}{<nom>}/
+\end{center}
-La \verb-<dimension>-, qui vaut 1.5ex par défaut, sera insérée verticalement entre la \falseverb{ligne de base} de la molécule et le haut des lettres du \verb-<nom>-. Le \verb-<nom>- sera centré par rapport à la molécule mais ce \verb-<nom>- ne peut pas contenir plusieurs paragraphes. Comme on le voit sur cet exemple : \chemname{\chemfig{H-O-H}}{\scriptsize\bfseries La molécule d'eau : $\mathrm{\mathbf{H_2O}}$}, le \verb-<nom>- qui est affiché sous la molécule est pris en compte dans la boîte englobante mais uniquement en ce qui concerne sa dimension \emph{verticale}. L'encombrement horizontal du \verb-<nom>- est toujours nul.
+La \Verb-<dimension>-, qui vaut 1.5ex par défaut, sera insérée verticalement entre la \falseverb{ligne de base} de la molécule et le haut des lettres du \Verb-<nom>-. Le \Verb-<nom>- sera centré par rapport à la molécule mais ce \Verb-<nom>- ne peut pas contenir plusieurs paragraphes. Comme on le voit sur cet exemple : \chemname{\chemfig{H-O-H}}{\scriptsize\bfseries La molécule d'eau : $\mathrm{\mathbf{H_2O}}$}, le \Verb-<nom>- qui est affiché sous la molécule est pris en compte dans la boîte englobante mais uniquement en ce qui concerne sa dimension \emph{verticale}. L'encombrement horizontal du \Verb-<nom>- est toujours nul.
Voici une réaction avec les noms sous les molécules :
\exemple*{Affichage du nom des molécules}/\schemestart
@@ -929,9 +949,9 @@
\schemestop
\chemnameinit{}/
-En fait, au dessous de la ligne de base de chaque molécule (en gris clair sur les exemples de ce manuel), pour écrire le \verb-<nom>-, la commande \falseverb{\chemname} insère 1.5ex${}+{}$\emph{la plus grande des profondeurs\footnote{En langage \TeX{}, la profondeur est la dimension qui s'étend verticalement sous la ligne de base.} des molécules rencontrées}. \label{chemnameinit}La macro \verb-\chemnameinit{<argument>}- initialise cette plus grande profondeur avec le contenu de l'\verb-<argument>-. Il convient donc :
+En fait, au dessous de la ligne de base de chaque molécule (en gris clair sur les exemples de ce manuel), pour écrire le \Verb-<nom>-, la commande \falseverb{\chemname} insère 1.5ex${}+{}$\emph{la plus grande des profondeurs\footnote{En langage \TeX{}, la profondeur est la dimension qui s'étend verticalement sous la ligne de base.} des molécules rencontrées}. \label{chemnameinit}La macro \Verb-\chemnameinit{<argument>}- initialise cette plus grande profondeur avec le contenu de l'\Verb-<argument>-. Il convient donc :
\begin{itemize}
- \item d'écrire \verb-\chemnameinit{<plus profonde molécule>}- avant d'impliquer cette commande dans une réaction, sauf si cette réaction commence par la plus profonde molécule;
+ \item d'écrire \Verb-\chemnameinit{<plus profonde molécule>}- avant d'impliquer cette commande dans une réaction, sauf si cette réaction commence par la plus profonde molécule;
\item d'écrire \verb-\chemnameinit{}- après avoir écrit tous les noms d'une réaction chimique afin d'éviter que la plus grande profondeur trouvée dans cette réaction n'interfère dans une réaction future.
\end{itemize}
@@ -948,7 +968,7 @@
\schemestop
\chemnameinit{}/
-Enfin, pour écrire un nom sur plusieurs lignes, la commande rencontrée dans un \verb-<nom>- effectue un retour à la ligne\footnote{Par contre, la commande \texttt{\textbackslash par} est interdite et provoquera une erreur à la compilation.} :
+Enfin, pour écrire un nom sur plusieurs lignes, la commande \verb|\\| rencontrée dans un \Verb-<nom>- effectue un retour à la ligne\footnote{Par contre, la commande \texttt{\textbackslash par} est interdite et provoquera une erreur à la compilation.} :
\exemple*{Nom sur 2 lignes}/\schemestart
\chemname{\chemfig{R-C(-[:-30]OH)=[:30]O}}{Acide\\carboxylique}
\+
@@ -960,7 +980,7 @@
\schemestop
\chemnameinit{}/
-Si l'on écrit \verb|\chemname*{<nom>}|, alors la macro ne tient pas compte des noms rencontrés précédemment.
+Si l'on écrit \Verb|\chemname*{<nom>}|, alors la macro ne tient pas compte des noms rencontrés précédemment.
\newpage
\part{Utilisation avancée}\label{utilisation.avancee}
@@ -1002,8 +1022,8 @@
Par l'intermédiaire de \CFkey{chemfig style}, on peut choisir par exemple la couleur générale ou l'épaisseur des lignes :
\exemple{Choix du style}/\chemfig{A-B-[2]C}\par\medskip
-\setchemfig{chemfig style={line width=1.5pt}}\chemfig{A-B-[2]C}\par\medskip
-\setchemfig{chemfig style=red}\chemfig{A-B-[2]C}/
+\chemfig[chemfig style={line width=1.5pt}]{A-B-[2]C}\par\medskip
+\chemfig[chemfig style=red]{A-B-[2]C}/
Avec \CFkey{node style}, on peut choisir la couleur des nœud dessinés par \TIKZ, modifier l'inclinaison du dessin ou changer l'échelle :
\exemple{Choix des styles}/\chemfig{A-B-[2]C}\par\medskip
@@ -1090,7 +1110,7 @@
\section{Liaisons doubles délocalisées}
Il est parfois nécessaire de tracer une liaison double dont un trait serait plein et l'autre en pointillé. Cette fonctionnalité n'est pas codée en dur dans \CF puisque \TIKZ, avec sa librairie «decorations.markings» le rend possible.
-\exemple*{Liaisons délocalisées}|\catcode`\@=11
+\exemple*{Liaisons délocalisées}|\catcode`\_=11
\tikzset{
ddbond/.style args={#1}{
draw=none,
@@ -1097,30 +1117,30 @@
decoration={%
markings,
mark=at position 0 with {
- \coordinate (CF at startdeloc) at (0,\dimexpr#1\CF at double@sep/2)
- coordinate (CF at startaxis) at (0,\dimexpr-#1\CF at double@sep/2);
+ \coordinate (CF_startdeloc) at (0,\dimexpr#1\CF_doublesep/2)
+ coordinate (CF_startaxis) at (0,\dimexpr-#1\CF_doublesep/2);
},
mark=at position 1 with {
- \coordinate (CF at enddeloc) at (0,\dimexpr#1\CF at double@sep/2)
- coordinate (CF at endaxis) at (0,\dimexpr-#1\CF at double@sep/2);
- \draw[dash pattern=on 2pt off 1.5pt] (CF at startdeloc)--(CF at enddeloc);
- \draw (CF at startaxis)--(CF at endaxis);
+ \coordinate (CF_enddeloc) at (0,\dimexpr#1\CF_doublesep/2)
+ coordinate (CF_endaxis) at (0,\dimexpr-#1\CF_doublesep/2);
+ \draw[dash pattern=on 2pt off 1.5pt] (CF_startdeloc)--(CF_enddeloc);
+ \draw (CF_startaxis)--(CF_endaxis);
}
},
postaction={decorate}
}
}
-\catcode`\@=12
+\catcode`\_8
\chemfig{A-[,,,,ddbond={+}]B-[,,,,ddbond={-}]C}|
\section{Sauvegarde d'une sous molécule}\label{definesubmol}
-\CF est capable de sauvegarder un \verb-<code>- sous forme d'un alias pour le réutiliser sous forme compacte dans le code d'une molécule. Ceci est particulièrement utile lorsque le \verb-<code>- apparaît plusieurs fois.
+\CF est capable de sauvegarder un \Verb-<code>- sous forme d'un alias pour le réutiliser sous forme compacte dans le code d'une molécule. Ceci est particulièrement utile lorsque le \Verb-<code>- apparaît plusieurs fois.
Pour cela, on dispose de la commande
-\centerverb|\definesubmol{<nom>}{<code>}|
-\smallskip
-
-qui sauvegarde le \verb/<code>/ de façon à l'appeler dans le code de la molécule par le raccourci «\verb/!{<nom>}/». Ce \verb-<nom>- peut être :
+\begin{center}
+ \Verb|\definesubmol{<nom>}{<code>}|
+\end{center}
+qui sauvegarde le \Verb/<code>/ de façon à l'appeler dans le code de la molécule par le raccourci «\Verb/!{<nom>}/». Ce \Verb-<nom>- peut être :
\begin{itemize}
\item une suite de caractères : tous les caractères alphanumériques pouvant se trouver entre \texttt{\string\csname} et \texttt{\string\endcsname} sont acceptés;
\item une séquence de contrôle.
@@ -1127,8 +1147,9 @@
\end{itemize}
Dans tous les cas, si l'alias est déjà défini il est déconseillé de l'écraser avec une nouvelle définition faite avec \falseverb{\definesubmol}, d'ailleurs, un «warning» sera émis avertissant l'utilisateur que cet alias sera écrasé par le nouveau. Pour écraser la définition d'un alias faite au préalable, il faut utiliser :\label{redefinesubmol}
-\centerverb|\redefinesubmol{<nom>}{<code>}|
-\smallskip
+\begin{center}
+ \Verb|\redefinesubmol{<nom>}{<code>}|
+\end{center}
Voici un code qui dessine la molécule de pentane. On a pris soin auparavant de définir un alias «\verb/xy/» pour le code \verb/CH_2/ :
\exemple{Pentane}|\definesubmol{xy}{CH_2}
@@ -1141,35 +1162,46 @@
\chemfig{[:15]H-!\xx-!\xx-!\xx-!\xx-H}|
La commande \falseverb{\definesubmol} admet un argument optionnel et sa syntaxe est la suivante :
-\centerverb/\definesubmol{<nom>}[<code1>]{<code2>}/
-\medskip
+\begin{center}
+ \Verb/\definesubmol{<nom>}[<code1>]{<code2>}/
+\end{center}
-Dans la cas où l'argument optionnel est présent, l'alias «\verb-!<nom>-» sera remplacé par \verb'<code1>' si la liaison qui arrive sur l'alias vient de droite, c'est à dire si l'angle que fait la liaison entrante est compris entre $-90$\degres{} et 90\degres{}, ces valeurs étant non comprises. Pour tous les autres cas où la liaison arrive de gauche ou verticalement, l'alias sera remplacé par \verb-<code2>-.
+Dans le cas où l'argument optionnel est présent, l'alias «\Verb-!<nom>-» sera remplacé par \Verb'<code1>' si la liaison qui arrive sur l'alias vient de droite, c'est à dire si l'angle que fait la liaison entrante est compris entre $-90$\degres{} et 90\degres{}, ces valeurs étant non comprises. Pour tous les autres cas où la liaison arrive de gauche ou verticalement, l'alias sera remplacé par \Verb-<code2>-.
On va définir une séquence de contrôle \verb-\Me- pour «méthyl» de telle sorte que l'alias «\verb-!\Me-» soit remplacé par «\verb-H_3C-» lorsque la liaison arrive de droite et par «\verb-CH_3-» lorsqu'elle arrive de gauche. Avec cet alias, on peut observer sur l'exemple que l'on n'a plus à s'occuper de l'angle (que dans certaines molécules plus complexes on ne connaît même pas) :
\exemple{Alias dual}/\definesubmol\Me[H_3C]{CH_3}
\chemfig{*6((-!\Me)=(-!\Me)-(-!\Me)=(-!\Me)-(-!\Me)=(-!\Me)-)}/
-\label{definesubmolarg}La sous-molécule sauvegardée via un \verb|<nom>| n'admet pas d'argument lorsqu'elle est appelée après «\verb|!|». Pour définir une sous-molécule admettant un ou plusieurs argument, il faut écrire ce \verb|<nombre>| d'arguments juste après le \verb|<nom>|. La syntaxe complète de \verb|\definesubmol| est donc:
+\label{definesubmolarg}La sous-molécule sauvegardée via un \Verb|<nom>| n'admet pas d'argument lorsqu'elle est appelée après «\verb|!|». Pour définir une sous-molécule admettant un ou plusieurs argument, il faut écrire ce \Verb|<nombre>| d'arguments juste après le \Verb|<nom>|. La syntaxe complète de \verb|\definesubmol| est donc:
+\begin{center}
+ \Verb/\definesubmol{<nom>}<nombre>[<code1>]{<code2>}/
+\end{center}
-\centerverb/\definesubmol<nombre>{<nom>}[<code1>]{<code2>}/
+Dans les \Verb|<codes>|, les arguments doivent figurer sous leur forme habituelle «\Verb|#<n>|» où \Verb|<n>| est le numéro de l'argument.
-Dans les \verb|<codes>|, les arguments doivent figurer sous leur forme habituelle «\verb|#<n>|» où \verb|<n>| est le numéro de l'argument.
-
-\exemple{\texttt{\string\definesubmol} avec arguments}/\definesubmol\X1{-[,-0.3,,,draw=none]\footnotesize#1}
+\exemple{\texttt{\string\definesubmol} avec arguments}/\definesubmol\X1{-[,-0.2,,,draw=none]{\scriptstyle#1}}
\chemfig{*6((!\X A)-(!\X B)-(!\X C)-(!\X D)-(!\X E)-(!\X F)-)}
\definesubmol{foo}3[#3|\textcolor{#1}{#2}]{\textcolor{#1}{#2}|#3}
\chemfig{A(-[:135]!{foo}{red}XY)-B(-[:45]!{foo}{green}{W}{zoo})}/
+Il est à noter que si le \Verb|<nombre>| d'arguments est incorrect (négatif ou supérieur à 9), un message d'erreur sera émis et \CF considèrera que la sous molécule n'admet pas d'argument.
+
+En dehors des cas où le caractère «\verb|#|» est suivi d'un chiffre compris entre 1 et \Verb|<nombre>| auquel cas il représente un argument, les «\verb|#|» sont autorisés dans les codes des sous molécules.
+
+\exemple{Utilisation de \#}/\definesubmol\X2{#1-#2-#3-#(3pt,3pt)#4}
+\chemfig{A-!\X{M}{N}-B}/
+
+Dans cet exemple, seuls \verb|#1| et \verb|#2| sont compris comme les arguments de la sous molécule \verb|\X|. Les autres «\verb|#|» sont affichés tels quels dans la molécule (cas de \verb|#3| et \verb|#4|) ou compris comme le caractère spécifiant le réglage fin du retrait des liaisons.
+
\section{Décorations}
\subsection{Formule de Lewis}\label{lewis}
La macro \falseverb{\lewis} permet de placer des paires d'électrons, des électrons ou une lacune. On utilise cette syntaxe :
-\centerverb|\lewis{<n1><n2>...<ni>,<atome>}|
-\smallskip
+\begin{center}
+ \Verb|\lewis{<n1><n2>...<ni>,<atome>}|
+\end{center}
+où les \Verb-<n1>-\ldots\Verb-<ni>- représentent les positions (en multiples de 45\degres) désirées autour de l'\Verb-<atome>-. Ces entiers doivent être compris entre 0 et 7.
-où les \verb-<n1>-\ldots\verb-<ni>- représentent les positions (en multiples de 45\degres) désirées autour de l'\verb-<atome>-. Ces entiers doivent être compris entre 0 et 7.
-
Cette commande peut également être utilisée en dehors de l'argument de \verb-\chemfig- :
\exemple{La macro \string\lewis}|\lewis{0246,A}\par\medskip
\lewis{1357,B}\par\medskip
@@ -1197,23 +1229,36 @@
\item \CFkv{lewis sep}{dim}: est la distance entre la boîte englobant l'atome et la décoration. Elle vaut \CFval{0.4ex} par défaut;
\item \CFkv{lewis length}{dim} : est la longueur du trait représentant la paire d'électrons. Elle vaut \CFval{1.5ex} par défaut;
\item \CFkv{lewis style}{code tikz} : est le code qui sera passé directement à \TIKZ. Ce code est \CFval{vide} par défaut;
- \item \CFkv{lewis dist}{dim} : est la distance entre les deux disques dessinés avec «\string:». Cette distance vaut \CFval{0.3em} par défaut.
- \item \CFkv{lewis radius}{dim} : est le rayon du disque d'une décoration de Lewis «.» ou «\string:». Il vaut \CFval{0.15ex} par défaut.
+ \item \CFkv{lewis dist}{dim} : est la distance entre les deux disques dessinés avec «\string:». Cette distance vaut \CFval{0.3em} par défaut;
+ \item \CFkv{lewis radius}{dim} : est le rayon du disque d'une décoration de Lewis «.» ou «\string:». Il vaut \CFval{0.15ex} par défaut;
+ \item \CFkv{lewis diag coeff}{décimal} : est le coefficient d'espacement diagonal qui vaut \CFval{1} par défaut.
\end{itemize}
+Il faut noter que les paramètres spécifiques aux décorations de Lewis peuvent être passées par
+\begin{itemize}
+ \item \Verb|\setchemfig{<clés>=<valeurs>}| afin qu'ils perdurent pour la suite du document;
+ \item \Verb|\chemfig[<clés>=<valeurs>]| et dans ce cas, les réglages sont effectifs dans la molécule en cours;
+ \item \Verb|\lewis[<clés>=<valeurs>]| pour que les paramètres soient spécifiques à cette exécution de la macro \verb|\lewis|.
+\end{itemize}
+
+La dernière façon de faire, certes permet des réglages individuels, mais doit être utilisée avec précaution lorsque la macro \verb|\lewis| se trouve dans l'argument de \verb|\chemfig|. En effet, les signes \verb-=- des \Verb|<clés>=<valeurs>| ne doivent pas être interprétés comme double liaison et pour ce faire, la macro \verb|\lewis|, son argument optionnel et obligatoire \emph{doivent} être entre accolades:
+
+\exemple*{Argument optionnel de \string\lewis}/\chemfig{{\lewis[lewis style=red]{1:3:5:7:,X}}-{\lewis[lewis style=blue]{0:2:4:6:,Y}}}/
+
+Voici quelques exemple de personnalisation:
+
\exemple{Les paramètres de la macro \string\lewis}*\setchemfig{lewis sep=4pt,lewis length=1.5em,lewis style=red}
\chemfig{A-\lewis{26,B}-C}\bigbreak
-\setchemfig{lewis style={line width=0.4pt}}
-\chemfig{A-\lewis{2|,B}-C}\bigbreak
+\chemfig[lewis style={line width=0.4pt}]{A-\lewis{2|,B}-C}\bigbreak
\Lewis{1:3:5:7:,X}\qquad\Lewis{0:2:4:6:,X}\bigbreak
-\setchemfig{lewis dist=0.2em}
-\Lewis{1:3:5:7:,X}\qquad\Lewis{0:2:4:6:,X}\bigbreak
+\Lewis[lewis dist=0.2em]{1:3:5:7:,X}\qquad
+\Lewis[lewis dist=0.2em]{0:2:4:6:,X}\bigbreak
-\setchemfig{lewis dist=4pt,lewis radius=1.5pt}
-\Lewis{1:3:5:7:,X}\qquad\Lewis{0:2:4:6:,X}*
+\Lewis[lewis dist=4pt,lewis radius=1.5pt]{1:3:5:7:,X}\qquad
+\Lewis[lewis dist=4pt,lewis radius=1.5pt]{0:2:4:6:,X}*
Un problème concernant les décorations de Lewis dans les directions obliques peut parfois survenir. Pour l'atome «O» dans l'exemple ci-dessous, il semble que la décoration en position 1 soit plus éloignée de l'atome que celle en position 4 :
\exemple{Directions obliques}/\huge
@@ -1225,21 +1270,23 @@
\Lewis{1|4|,O}/
\label{opt.lewis}L'impression de plus grand éloignement est dû au fait que les contours de la lettre «O» sont plus éloignés de ceux de la boîte englobante dans les coins, c'est-à-dire dans les directions impaires.
-Pour rapprocher (ou éloigner) les décorations de lewis dans les directions impaires, les commandes \verb-\lewis- et \verb-\Lewis- admettent un argument optionnel qui contient un coefficient qui vient multiplier le décalage entre la boite englobante et la décoration de Lewis réglé avec la commande \falseverb\setlewis. Pour la lettre «O», il semble que la valeur 0.5 soit satisfaisante pour ce coefficient :
+Pour rapprocher (ou éloigner) les décorations de Lewis dans les directions impaires, la \chevrons{clé} \CFkv{lewis diag coeff}{decimal} spécifie le coefficient qui vient multiplier le décalage entre la boite englobante et la décoration de Lewis. Pour la lettre «O», il semble que la valeur 0.5 soit satisfaisante pour ce coefficient :
\exemple*{Argument optionnel de \string\lewis}/\huge
-\Lewis{1|4|,O}\quad \Lewis[0.5]{1|4|,O}
+\Lewis{1|4|,O}\quad \Lewis[lewis diag coeff=0.5]{1|4|,O}
-\Lewis{0:3:,O}\quad \Lewis[2]{0:5:,O}\quad \Lewis[0]{0:5:,O}\quad \Lewis[0.5]{0:5:,O}/
+\Lewis{0:5:,O}\quad \Lewis[lewis diag coeff=2]{0:5:,O}\quad \Lewis[lewis diag coeff=0.5]{0:5:,O}/
\subsection{Empilement de caractères}
Les macros\label{chemabove}
-\centerverb|\chemabove[<dim>]{<code>}{<matériel>}|
+\begin{center}
+ \Verb|\chemabove[<dim>]{<code>}{<matériel>}|
+\end{center}
et\label{chembelow}
-\centerverb|\chembelow[<dim>]{<code>}{<matériel>}|
-\smallskip
+\begin{center}
+ \Verb|\chembelow[<dim>]{<code>}{<matériel>}|
+\end{center}
+placent le \Verb-<matériel>- respectivement au-dessus et au-dessous du \Verb-<code>- à une distance verticale \Verb-<dim>-, et cela sans changer la boîte englobante du \Verb-<code>-. L'argument optionnel permet si on le souhaite, de spécifier cette dimension à chaque appel. Si l'argument optionnel n'est pas utilisé, une dimension par défaut sera prise : elle vaut \CFval{1.5pt} mais peut être modifiée avec \chevrons{clé} \CFkv{stack sep}{dim}.
-placent le \verb-<matériel>- respectivement au-dessus et au-dessous du \verb-<code>- à une distance verticale \verb-<dim>-, et cela sans changer la boîte englobante du \verb-<code>-. L'argument optionnel permet si on le souhaite, de spécifier cette dimension à chaque appel. Si l'argument optionnel n'est pas utilisé, une dimension par défaut sera prise : elle vaut \CFval{1.5pt} mais peut être modifiée avec \chevrons{clé} \CFkv{stack sep}{dim}.
-
Ces commandes sont indépendantes de la macro \verb-\chemfig- et peuvent aussi bien être appelées à l'intérieur ou à l'extérieur de son argument.
On peut les utiliser notamment dans les cycles en prenant soin de mettre des accolades autour des lettres A, B, C et D pour éviter que \CF ne stoppe la lecture de l'atome sur ces lettres :
@@ -1248,7 +1295,7 @@
Elles sont parfois utiles pour placer des pseudo exposants tenant lieu de charge qui ne changent pas la boîte englobante de l'atome, de façon à ce que les liaisons n'en soient pas trop éloignées :
\exemple{ion oxonium}*\chemfig{H-\chemabove{\lewis{5|7,O}}{\quad\scriptstyle+}(-[2]H)-H}*
-Les commandes \falseverb{\Chemabove} et \falseverb{\Chembelow} fonctionnent de la même façon sauf que la boîte englobante \emph{tient compte} du \verb-<matériel>- placé au dessus ou au dessous.
+Les commandes \falseverb{\Chemabove} et \falseverb{\Chembelow} fonctionnent de la même façon sauf que la boîte englobante \emph{tient compte} du \Verb-<matériel>- placé au dessus ou au dessous.
\section{Utilisation de {\protect\ttfamily\protect\textbackslash chemfig} dans l'environnement \protect\ttfamily tikzpicture}
Il est possible d'appeler la commande \falseverb{\chemfig} à l'intérieur d'un environnement {\ttfamily\falseverb{tikzpicture}} :
@@ -1368,19 +1415,16 @@
\subsubsection{Projection de Haworth}
Le but est de représenter cette molécule de D-glucopyranose :
-{\setchemfig{cram width=2pt}
-\chemfig{HO-[2,0.5,2]?<[7,0.7](-[2,0.5]OH)-[,,,,line width=2pt](-[6,0.5]OH)>[1,0.7](-[6,0.5]OH)-[3,0.7]O-[4]?(-[2,0.3]-[3,0.5]OH)}}
+\chemfig[cram width=2pt]{HO-[2,0.5,2]?<[7,0.7](-[2,0.5]OH)-[,,,,line width=2pt](-[6,0.5]OH)>[1,0.7](-[6,0.5]OH)-[3,0.7]O-[4]?(-[2,0.3]-[3,0.5]OH)}
Tout d'abord, on va choisir la plus longue chaîne qui part du groupe «HO» de gauche et continue sur 5 côtés du cycle. Le cycle sera fermé avec un crochet. Pour la liaison verticale qui part du premier groupe «HO», il faut spécifier qu'elle doit partir du second atome avec l'argument optionnel. De plus, elle sera raccourcie avec un coefficient de 0,5. Son argument optionnel sera donc «\verb/[2,0.5,2]/».
Ensuite, pour donner une impression de perspective au cycle, les liaisons inclinées seront réduites d'un coefficient de 0,7. Pour les traits gras inclinés, on va se servir des liaisons de Cram en ayant redéfini la largeur de la base des triangles à 2pt. Pour la liaison horizontale en trait gras, il faudra la tracer avec une épaisseur de 2pt et son argument optionnel sera donc «\verb/[0,,,,line width=2pt]/». Voici la structure de la molécule :
-\exemple{Structure}|\setchemfig{cram width=2pt}
-\chemfig{HO-[2,0.5,2]?<[7,0.7]-[,,,,
+\exemple{Structure}|\chemfig[cram width=2pt]{HO-[2,0.5,2]?<[7,0.7]-[,,,,
line width=2pt]>[1,0.7]-[3,0.7]O-[4]?}|
Il ne reste plus qu'à rajouter les ramifications, mises au bon endroit, en spécifiant des angles absolus correctement choisis et des longueurs parfois réduites pour mieux donner l'illusion de la perspective :
-\exemple{Projection de Haworth}|\setchemfig{cram width=2pt}
-\chemfig{HO-[2,0.5,2]?<[7,0.7](-[2,0.5]OH)-[,,,,
+\exemple{Projection de Haworth}|\chemfig[cram width=2pt]{HO-[2,0.5,2]?<[7,0.7](-[2,0.5]OH)-[,,,,
line width=2pt](-[6,0.5]OH)>[1,0.7](-[6,0.5]OH)-[3,0.7]
O-[4]?(-[2,0.3]-[3,0.5]OH)}|
@@ -1494,9 +1538,10 @@
\subsection{Dessiner un élément de polymère}\label{polymerdelim}
La macro \verb|\polymerdelim|, jusqu'alors non documentée et en phase de test, fait avec la version 1.33 son entrée officielle dans le package \CF. Sa syntaxe est la suivante :
+\begin{center}
+ \Verb|\polymerdelim[<clés>=<valeurs>]{<nœud1>}<nœud2>}|
+\end{center}
-\centerverb|\polymerdelim[<clés>=<valeurs>]{<nœud1>}<nœud2>}|
-
L'effet, après éventuellement \emph{deux} compilations, est de positionner des délimiteurs verticaux aux nœuds spécifiés. Les paramètres sont spécifiés via les \chevrons{clés} et les \chevrons{valeurs} dont voici la liste, les valeurs par défaut et les actions.
\begin{center}
\begin{tabular}{rlp{8cm}}\hline
@@ -1524,8 +1569,8 @@
\polymerdelim[height = 30pt, depth = 5pt, indice = {}]{op}{cl}
\bigskip
-Polycaprolactame:\setchemfig{atom sep = 2em}
-\chemfig{[:-30]-[@{left,.75}]N(-[6]H)-[:30](=[2]O)--[:30]--[:30]--[@{right,0.25}:30]}
+Polycaprolactame:
+\chemfig[atom sep = 2em]{[:-30]-[@{left,.75}]N(-[6]H)-[:30](=[2]O)--[:30]--[:30]--[@{right,0.25}:30]}
\polymerdelim[height = 5pt, indice = \!\!n]{left}{right}
\bigskip
@@ -1597,26 +1642,26 @@
L'astuce consiste à créer un n\oe ud invisible circulaire qui contient l'atome et tracer les doublets aux angles désirés de façon à ce qu'ils soient tangents à ce cercle :
-\exemple*{Doublets au degrés prés}|\makeatletter\catcode`\_11
+\exemple*{Doublets au degrés prés}|\catcode`\_11
\newcommand\mylewis[3][2ex]{% #1=longueur, #2=atome #3=liste des angles
\tikzpicture[baseline,anchor=base]%
\node[inner sep=0pt,outer sep=1pt,circle,overlay](atom@@)at(0,0){\phantom{#2}};%
\node[inner sep=0pt,outer sep=0pt]at(0,0){#2};%
- \def\list at angle{#3,}%
+ \def\list_angle{#3,}%
\loop
- \expandafter\grab at angle\list at angle\@nil
- \pgfextractx\CF at dim{\pgfpointanchor{atom@@}\current at angle}\edef\CF at dimax{\the\CF at dim}%
- \pgfextracty\CF at dim{\pgfpointanchor{atom@@}\current at angle}\edef\CF at dimay{\the\CF at dim}%
- \pgfmathparse{#1*sin(\current at angle)/2}\let\offset at xx\pgfmathresult
- \pgfmathparse{#1*cos(\current at angle)/2}\let\offset at yy\pgfmathresult
+ \expandafter\grab_angle\list_angle\_nil
+ \pgfextractx\CF_dim{\pgfpointanchor{atom@@}\current_angle}\edef\CF_dimax{\the\CF_dim}%
+ \pgfextracty\CF_dim{\pgfpointanchor{atom@@}\current_angle}\edef\CF_dimay{\the\CF_dim}%
+ \pgfmathparse{#1*sin(\current_angle)/2}\let\offset_xx\pgfmathresult
+ \pgfmathparse{#1*cos(\current_angle)/2}\let\offset_yy\pgfmathresult
\draw[line width=.4pt,overlay]
- (\CF at dimax-\offset at xx,\CF at dimay+\offset at yy)--(\CF at dimax+\offset at xx,\CF at dimay-\offset at yy);%
- \unless\ifx\@empty\list at angle
+ (\CF_dimax-\offset_xx,\CF_dimay+\offset_yy)--(\CF_dimax+\offset_xx,\CF_dimay-\offset_yy);%
+ \unless\ifx\empty\list_angle
\repeat
\endtikzpicture
}
-\def\grab at angle#1,#2\@nil{\def\current at angle{#1}\def\list at angle{#2}}
-\makeatother
+\def\grab_angle#1,#2\_nil{\def\current_angle{#1}\def\list_angle{#2}}
+\catcode`\_8
Essai : \mylewis{Cl}{15}\qquad \mylewis[3ex]{Cl}{-60}\qquad \mylewis[1.5ex]{Cl}{60,120,240,300}
\bigskip
@@ -1626,7 +1671,7 @@
\subsection{Dessiner des liaisons multiples}
Là encore, la librairie «decorations.markings» permet de tracer des liaisons multiples :
-\exemple*{Liaisons multiples}|\catcode`\@=11
+\exemple*{Liaisons multiples}|\catcode`\_=11
\tikzset{nbond/.style args={#1}{%
draw=none,%
decoration={%
@@ -1633,9 +1678,9 @@
markings,%
mark=at position 0 with {\coordinate (CFstart@) at (0,0);},
mark=at position 1 with {%
- \foreach\CF at i in{0,1,...,\number\numexpr#1-1}{%
- \pgfmathsetmacro\CF at nbondcoeff{\CF at i-0.5*(#1-1)}%
- \draw ([yshift=\CF at nbondcoeff\CF at double@sep]CFstart@)--(0,\CF at nbondcoeff\CF at double@sep);
+ \foreach\CF_i in{0,1,...,\number\numexpr#1-1}{%
+ \pgfmathsetmacro\CF_nbondcoeff{\CF_i-0.5*(#1-1)}%
+ \draw ([yshift=\CF_nbondcoeff\CF_doublesep]CFstart@)--(0,\CF_nbondcoeff\CF_doublesep);
}%
}
},
@@ -1642,7 +1687,7 @@
postaction={decorate}
}
}
-\catcode`\@=12
+\catcode`\_=8
\chemfig{A-[1,,,,nbond=4]B-[:-30,,,,nbond=5]C-[6,,,,nbond=6]D}|
\part{Schémas réactionnels}\label{schemas}
@@ -1669,12 +1714,12 @@
Quelques remarques :
\begin{itemize}
\item les commandes \falseverb{\arrow} tracent les flèches;
- \item tout ce qui se trouve entre deux commande \falseverb{\arrow} est considéré comme étant un \falseverb{composé}. Le parti a été pris que tous les réglages possibles, qu'ils concernent les flèches ou les composés, le seront grâce aux arguments de la commande \falseverb{\arrow}, dont la syntaxe en devient assez complexe;
+ \item tout ce qui se trouve entre deux commande \falseverb{\arrow} est considéré comme étant un composé. Le parti a été pris que tous les réglages possibles, qu'ils concernent les flèches ou les composés, le seront grâce aux arguments de la commande \falseverb{\arrow}, dont la syntaxe en devient assez complexe;
\item les flèches sont tracées horizontalement, ce qui est bien évidemment modifiable;
\item les flèches sont sur la ligne imaginaire reliant les centre des boîtes englobantes les composés (les points rouges et bleus sont les points d'attache des flèches). Ce comportement est également modifiable;
\item Les informations de débogage, qui sont rendues visibles ou pas avec la \chevrons{clé} \CFkey{scheme debug} sont :
\begin{itemize}
- \item ce qui se trouve en vert au dessus des boîtes englobantes est le nom attribué par défaut par \CF aux composés et suit la progression "c1", "c2", etc. La numérotation repart à 1 pour un nouveau schéma réactionnel.
+ \item ce qui se trouve en vert au dessus des boîtes englobantes est le nom attribué par défaut par \CF aux composés et suit la progression "c1", "c2", etc. La numérotation recommence à 1 pour un nouveau schéma réactionnel.
\item les boîtes englobantes des composés ont été tracées;
\item les extrémités des flèches sont matérialisés par des points rouge et les ancres par des points bleu;
\end{itemize}
@@ -1698,7 +1743,7 @@
Par souci de concision, par la suite, sauf exemple spécial, des lettres majuscules seront mises au lieu de formules chimiques crées via la commande \falseverb\chemfig. Il est bien évident que les schémas réactionnels fonctionnent de façon identique avec des lettres ou des dessins de molécules. On peut voir dans la galerie plusieurs exemples où les schémas réactionnels entrent en jeu.
\section{Caractéristiques des flèches}
-Chaque \falseverb{flèche} est caractérisée par :
+Chaque flèche est caractérisée par :
\begin{itemize}
\item un angle exprimé en degrés;
\item un coefficient qui spécifie la longueur de la flèche par multiplication de la valeur de l'espacement entre composés défini par \CFkey{compound sep};
@@ -1750,7 +1795,7 @@
\schemestop/
\section{Nom des composés}
-On peut passer outre le mécanisme automatique qui nomme les composés «c1», «c2», etc. Pour cela, la commande \falseverb{\arrow} admet un argument entre parenthèses qui doit suivre immédiatement la commande. Cet argument est de la forme : \verb/(n1--n2)/. Il nomme «\verb-n1-» le \falseverb{composé} se trouvant à l'origine de la flèche et «\verb-n2-» celui se trouvant à sa fin. N'importe quelle chaîne de caractères alphanumériques peut être utilisée. La numérotation des noms "c<n>" continue en interne ce qui signifie que si un \falseverb{composé} porte un autre nom que celui par défaut, cela ne change pas le nom par défaut des composés suivants.
+On peut passer outre le mécanisme automatique qui nomme les composés «c1», «c2», etc. Pour cela, la commande \falseverb{\arrow} admet un argument entre parenthèses qui doit suivre immédiatement la commande. Cet argument est de la forme : \verb/(n1--n2)/. Il nomme «\verb-n1-» le composé se trouvant à l'origine de la flèche et «\verb-n2-» celui se trouvant à sa fin. N'importe quelle chaîne de caractères alphanumériques peut être utilisée. La numérotation des noms "c<n>" continue en interne ce qui signifie que si un composé porte un autre nom que celui par défaut, cela ne change pas le nom par défaut des composés suivants.
Les noms sont facultatifs et l'argument peut aussi bien être \verb/(n1--)/ que \verb/(--n2)/.
@@ -1763,12 +1808,12 @@
\schemestart
A\arrow(aa--)B\arrow(bb--)C\arrow(cc--dd)D\arrow E
\schemestop/
-On le voit, les deux méthodes sont équivalentes et l'on peut donc nommer un \falseverb{composé} avec la flèche qui le précède ou avec la flèche qui le suit. Par contre lorsqu'un \falseverb{composé} est entouré de deux flèches spécifiant son nom, le premier nom est ignoré et un warning est émis :
+On le voit, les deux méthodes sont équivalentes et l'on peut donc nommer un composé avec la flèche qui le précède ou avec la flèche qui le suit. Par contre lorsqu'un composé est entouré de deux flèches spécifiant son nom, le premier nom est ignoré et un warning est émis :
\exemple[50]{Noms surabondants}/\setchemfig{scheme debug=true}
\schemestart
A\arrow(--foo)B\arrow(bar--)C
\schemestop/
-Ici, le \falseverb{composé} «B» est nommé «foo» par la flèche qui lui arrive dessus et «bar» par celle qui en part. \CF émet donc le warning suivant annonçant que le nom "foo" sera ignoré :
+Ici, le composé «B» est nommé «foo» par la flèche qui lui arrive dessus et «bar» par celle qui en part. \CF émet donc le warning suivant annonçant que le nom "foo" sera ignoré :
\hfill\verb-Package chemfig Warning: two names for the same node, first name "foo" ignored-\hfill\null
@@ -1812,7 +1857,7 @@
\chemfig{A*5(---(-)--)}
\schemestop/
-Un dernier ancre reste à spécifier, c'est celui du premier \falseverb{composé} par rapport à la \falseverb{ligne de base} du texte qui le précède, il s'agit du point vert de gauche sur le schéma qui suit :
+Un dernier ancre reste à spécifier, c'est celui du premier composé par rapport à la \falseverb{ligne de base} du texte qui le précède, il s'agit du point vert de gauche sur le schéma qui suit :
\exemple[50]{Ancre initial}/\setchemfig{scheme debug=true}
Texte qui précède :
\schemestart
@@ -1819,7 +1864,7 @@
\chemfig{A*5(-----)}\arrow A
\schemestop/
-L'emplacement de cet ancre sur la boîte contenant le premier \falseverb{composé} vaut par défaut «text». Il est réglable avec le second argument optionnel de la commande \falseverb{\schemestart} :
+L'emplacement de cet ancre sur la boîte contenant le premier composé vaut par défaut «text». Il est réglable avec le second argument optionnel de la commande \falseverb{\schemestart} :
\exemple[50]{Réglage de l'ancre initial}/\setchemfig{scheme debug=true}
Texte qui précède :
\schemestart[][south]
@@ -1839,7 +1884,7 @@
\schemestop/
\section{Style des composés}
-Toujours par l'intermédiaire de l'argument entre parenthèses de la commande \falseverb{\arrow}, on peut spécifier avec des instructions de \TIKZ le style «\verb-s-» de la boîte englobante du \falseverb{composé} de départ ou de celui d'arrivée. La syntaxe complète de la commande \falseverb{\arrow} est donc la suivante, où chaque spécification est optionnelle et peut être omise :
+Toujours par l'intermédiaire de l'argument entre parenthèses de la commande \falseverb{\arrow}, on peut spécifier avec des instructions de \TIKZ le style «\verb-s-» de la boîte englobante du composé de départ ou de celui d'arrivée. La syntaxe complète de la commande \falseverb{\arrow} est donc la suivante, où chaque spécification est optionnelle et peut être omise :
\hfill\verb/\arrow(n1.a1[s1]--n2.a2[s2]){type flèche}[angle,coeff,style flèche]/\hfill\null
@@ -1871,7 +1916,7 @@
\schemestop/
\section{Embranchements}
-Jusqu'à présent, on n'a pu tracer que des schémas réactionnels linéaires. On peut également faire des embranchements et c'est là que le nom des composés va prendre toute son importance. Dans l'argument entre parenthèses de la commande \falseverb{\arrow}, si un nom est précédé de \og\verb- at -\fg, cela signifie que ce \falseverb{composé} existe déjà. Plusieurs cas de figure peuvent se présenter :
+Jusqu'à présent, on n'a pu tracer que des schémas réactionnels linéaires. On peut également faire des embranchements et c'est là que le nom des composés va prendre toute son importance. Dans l'argument entre parenthèses de la commande \falseverb{\arrow}, si un nom est précédé de \og\verb- at -\fg, cela signifie que ce composé existe déjà. Plusieurs cas de figure peuvent se présenter :
\begin{itemize}
\item \verb/(@n1--n2)/ : la flèche sera tracée depuis le composé existant \og\verb-n1-\fg{} et le schéma continuera à la suite de cette flèche, créant donc un embranchement;
\item \verb/(@n1-- at n2)/ : la flèche est tracée entre deux composés existants, qu'ils soient déjà définis ou qu'ils soient définis plus tard dans le schéma réactionnel : cette syntaxe peut donc se placer \emph{n'importe où} dans le code du schéma réactionnel;
@@ -1897,7 +1942,7 @@
\schemestop/
\section{Sous schéma}\label{subscheme}
-On peut placer une partie d'un schéma réactionnel dans une boîte englobante unique, considérée par \CF comme un \falseverb{composé}. La commande \falseverb{\subscheme} dont l'argument obligatoire contient le sous schéma entre accolades permet de grouper un sous schéma comme un tout et lorsque \falseverb{\subscheme} se trouve après une flèche, la commande enveloppe ce sous schéma dans un \falseverb{composé} portant le nom «c<n+1>» :
+On peut placer une partie d'un schéma réactionnel dans une boîte englobante unique, considérée par \CF comme un composé. La commande \falseverb{\subscheme} dont l'argument obligatoire contient le sous schéma entre accolades permet de grouper un sous schéma comme un tout et lorsque \falseverb{\subscheme} se trouve après une flèche, la commande enveloppe ce sous schéma dans un composé portant le nom «c<n+1>» :
\exemple[50]{Sous schéma}/\setchemfig{scheme debug=true}
\schemestart
A\arrow
@@ -1905,7 +1950,7 @@
\arrow
D
\schemestop/
-Bien que ça ne soit pas clair car les noms se superposent, la boîte contenant le sous schéma porte le nom «c2» et la numérotation se poursuit à l'intérieur du sous schéma «c3» pour B, «c4» pour C. Comme le premier \falseverb{composé} du sous schéma est «B», la ligne de base du sous schéma est celle de «B». On peut le mettre en évidence en précisant les ancres :
+Bien que ça ne soit pas clair car les noms se superposent, la boîte contenant le sous schéma porte le nom «c2» et la numérotation se poursuit à l'intérieur du sous schéma «c3» pour B, «c4» pour C. Comme le premier composé du sous schéma est «B», la ligne de base du sous schéma est celle de «B». On peut le mettre en évidence en précisant les ancres :
\exemple[50]{Sous schéma}/\setchemfig{scheme debug=true}
\schemestart
A\arrow(--.mid west)
@@ -1913,15 +1958,17 @@
\arrow
D
\schemestop/
-Il faut noter que la commande \falseverb\subscheme\verb-{<scheme>}- n'étant rien d'autre qu'un raccourci pratique pour
+Il faut noter que la commande \falseverb\subscheme\Verb-{<scheme>}- n'étant rien d'autre qu'un raccourci pratique pour
\begin{center}
-\falseverb\schemestart\verb-<scheme>-\falseverb\schemestop
+\falseverb\schemestart\Verb-<scheme>-\falseverb\schemestop
\end{center}
Par conséquent, \falseverb\subscheme{} admet les mêmes arguments optionnels que \falseverb\schemestart.
\label{chemleft}\CF fournit la paire de commandes \falseverb{\chemleft} et \falseverb{\chemright} qui permettent de placer des délimiteurs extensibles de part et d'autre d'un matériel. Ces commandes doivent être suivies de délimiteurs, tout comme on en mettrait à la suite des primitives de \TeX{} \verb-\left- et \verb-\right- :
-\centerverb/\chemleft<car1><matériel>\chemright<car2>/
-où \verb-<car1>- et \verb-<car2>- sont «(» et «)» ou «[» et «]» ou tout autre délimiteur extensible accepté par les commandes \verb-\left- et \verb-\right-.
+\begin{center}
+ \Verb/\chemleft<car1><matériel>\chemright<car2>/
+\end{center}
+où \Verb-<car1>- et \Verb-<car2>- sont «(» et «)» ou «[» et «]» ou tout autre délimiteur extensible accepté par les commandes \verb-\left- et \verb-\right-.
\exemple{Les macros \string\chemleft\ et \string\chemright}/\chemleft\lfloor\chemfig{A-[1]B}\chemright)
\chemleft\{\chemfig{A-[1,1.25]B-[6,1.25]C}\chemright|
@@ -1935,7 +1982,9 @@
D
\schemestop/
\label{chemup}Dans le même ordre d'idée, les macros \falseverb{\chemup} et \falseverb{\chemdown} fonctionnent de la même façon sauf que les délimiteurs extensibles sont positionnés au dessus et au dessous du matériel :
-\centerverb/\chemup<car1><matériel>\chemdown<car2>/
+\begin{center}
+ \Verb/\chemup<car1><matériel>\chemdown<car2>/
+\end{center}
Voici un exemple :
\exemple{Les macros \string\chemup\ et \string\chemdown}/\schemestart[-90]
X\arrow
@@ -2038,7 +2087,7 @@
\exemple[50]{Flèches verticales}/\schemestart
A\arrow{->[sur][sous]}[-90]B
\schemestop/
-Par souci de lisibilité, il serait souhaitable que les labels placés au dessus et au dessous soient horizontaux. On peut choisir l'angle selon lequel les labels sont affichés, la valeur par défaut étant l'angle de la flèche. Pour spécifier un autre angle, il suffit de placer au début des arguments optionnels \verb-*{<angle>}- :
+Par souci de lisibilité, il serait souhaitable que les labels placés au dessus et au dessous soient horizontaux. On peut choisir l'angle selon lequel les labels sont affichés, la valeur par défaut étant l'angle de la flèche. Pour spécifier un autre angle, il suffit de placer au début des arguments optionnels \Verb-*{<angle>}- :
\exemple[55]{Choix des angles}/\setchemfig{scheme debug=true}
\schemestart A\arrow{->[*{0}sur][*{0}sous]}[90]B\schemestop
\qquad
@@ -2052,7 +2101,7 @@
\schemestart
A\arrow{->[*{0}au-dessus][*{0}au-dessous]}[45,2]B
\schemestop/
-On peut spécifier également l'ancre d'attache pour écraser celui choisi par \CF par défaut. Il suffit d'utiliser la syntaxe suivante : \verb-*{<angle>.<ancre>}-.
+On peut spécifier également l'ancre d'attache pour écraser celui choisi par \CF par défaut. Il suffit d'utiliser la syntaxe suivante : \Verb-*{<angle>.<ancre>}-.
\exemple[50]{Ancres}/\setchemfig{scheme debug=true}
\schemestart
A\arrow{->[*{0.0}au-dessus][*{0.180}au-dessous]}[45,2]B
@@ -2094,17 +2143,17 @@
La commande \falseverb{\definearrow} permet de construire des flèches personnalisées. La syntaxe de cette commande est la suivante :
-\hfill\verb-\definearrow{<nombre>}{<nom flèche>}{<code>}-\hfill\null
+\hfill\Verb-\definearrow{<nombre>}{<nom flèche>}{<code>}-\hfill\null
-où \verb-<nombre>- est le nombre d'arguments optionnels auxquels on fera référence dans le \verb-<code>- avec la syntaxe habituelle \verb-#1-, \verb-#2-, etc. On ne peut pas définir de valeur par défaut pour ces arguments optionnels, et s'ils sont absents lorsque l'utilisateur utilise la macro \verb-\arrow-, ils seront vides.
+où \Verb-<nombre>- est le nombre d'arguments optionnels auxquels on fera référence dans le \Verb-<code>- avec la syntaxe habituelle \verb-#1-, \verb-#2-, etc. On ne peut pas définir de valeur par défaut pour ces arguments optionnels, et s'ils sont absents lorsque l'utilisateur utilise la macro \verb-\arrow-, ils seront vides.
-Avant d'aller plus loin, examinons les macros disponibles en interne lors du tracé des flèches. Comme ces macros ont le caractère \verb- at - dans leur nom, on ne peut y accéder qu'entre les commandes \falseverb{\makeatletter} et \falseverb{\makeatother}.
+Avant d'aller plus loin, examinons les macros disponibles en interne lors du tracé des flèches. Comme ces macros ont le caractère «\verb-_-» dans leur nom, on ne peut y accéder qu'entre les commandes \verb|\catcode`\_=11| et \verb|\catcode`\_=8|.
\begin{itemize}
- \item \falseverb{\CF at arrow@start at name} et \falseverb{\CF at arrow@end at name} contiennent les noms des composés (qui sont des nœuds pour \TIKZ) entre lesquels doit être tracée la flèche;
- \item \falseverb{\CF at arrow@start at node} et \falseverb{\CF at arrow@end at node} contiennent les noms des nœuds où seront placés les extrémités des flèches. À la suite de ces noms viennent s'ajouter, s'ils ne sont pas vides, les ancres spécifiés par l'utilisateur dans l'argument entre parenthèses de la commande \falseverb\arrow;
- \item \falseverb{\CF at arrow@current at style} et \falseverb{\CF at arrow@current at angle} contiennent le style et l'angle de la flèche devant être tracée;
- \item \falseverb{\CF at arrow@shift at nodes}\verb-{<dim>}- décale les nœuds «\falseverb{\CF at arrow@start at node}» et «\falseverb{\CF at arrow@end at node}» de la dimension contenue dans son argument et ce, dans la direction perpendiculaire à la flèche;
- \item \falseverb{\CF at arrow@display at label}\verb/{#1}{#2}{#3}{#4}{#5}{#6}{#7}{#8}/ est la plus complexe et se charge de placer les labels avec les arguments suivants :
+ \item \falseverb{\CF_arrowstartname} et \falseverb{\CF_arrowendname} contiennent les noms des composés (qui sont des nœuds pour \TIKZ) entre lesquels doit être tracée la flèche;
+ \item \falseverb{\CF_arrowstartnode} et \falseverb{\CF_arrowendnode} contiennent les noms des nœuds où seront placés les extrémités des flèches. À la suite de ces noms viennent s'ajouter, s'ils ne sont pas vides, les ancres spécifiés par l'utilisateur dans l'argument entre parenthèses de la commande \falseverb\arrow;
+ \item \falseverb{\CF_arrowcurrentstyle} et \falseverb{\CF_arrowcurrentangle} contiennent le style et l'angle de la flèche devant être tracée;
+ \item \falseverb{\CF_arrowshiftnodes}\Verb-{<dim>}- décale les nœuds «\falseverb{\CF_arrowstartnode}» et «\falseverb{\CF_arrowendnode}» de la dimension contenue dans son argument et ce, dans la direction perpendiculaire à la flèche;
+ \item \falseverb{\CF_arrowdisplaylabel}\verb/{#1}{#2}{#3}{#4}{#5}{#6}{#7}{#8}/ est la plus complexe et se charge de placer les labels avec les arguments suivants :
\begin{itemize}
\item \verb-#1- et \verb-#5- sont les labels a écrire;
\item \verb-#2- et \verb-#6- sont des réels compris entre 0 et 1 spécifiant à quel endroit de la flèche ces labels doivent être écrits, 0 étant le début et 1 étant la fin,, le tout étant supposé que la flèche est \emph{rectiligne};
@@ -2117,28 +2166,28 @@
\subsection{Une première flèche}
Pour créer un exemple, mettons que l'on veuille construire une flèche avec un disque en son milieu que l'on va appeler «\verb/-.>/». Décidons qu'elle admettra 4 arguments optionnels. Comme pour les flèches déjà définies, le premier et le second seront les labels à mettre au dessus et au dessous et le troisième sera le décalage de la flèche dans le sens perpendiculaire à sa direction. Enfin, le 4\ieme{} argument sera la taille du point que l'on prendra égale à 2pt si le 4\ieme{} argument est absent.
-Nous allons d'abord écrire \verb/\definearrow{4}{-.>}/ pour déclarer que la flèche aura 4 arguments optionnels et s'appellera \verb/-.>/. Tout d'abord, il faut modifier les positions des nœuds entre lesquels doit être tracée la flèche pour tenir compte du décalage contenu dans le 3\ieme{} argument. Ceci est réalisé par la macro \falseverb{\CF at arrow@shift at nodes}, et il suffit donc de commencer le code de la flèche par : \falseverb{\CF at arrow@shift at nodes}\verb-{#3}%-. Ensuite, il faut tracer la flèche elle même et en profiter pour poser un nœud au milieu du segment que nous appelons "\verb-mid at point-", puis tracer un cercle dont le centre est ce dernier nœud. Tout ceci est fait par le code \TIKZ suivant :
+Nous allons d'abord écrire \verb/\definearrow{4}{-.>}/ pour déclarer que la flèche aura 4 arguments optionnels et s'appellera \verb/-.>/. Tout d'abord, il faut modifier les positions des nœuds entre lesquels doit être tracée la flèche pour tenir compte du décalage contenu dans le 3\ieme{} argument. Ceci est réalisé par la macro \falseverb{\CF_arrowshiftnodes}, et il suffit donc de commencer le code de la flèche par : \falseverb{\CF_arrowshiftnodes}\verb-{#3}%-. Ensuite, il faut tracer la flèche elle même et en profiter pour poser un nœud au milieu du segment que nous appelons "\verb-mid at point-", puis tracer un cercle dont le centre est ce dernier nœud. Tout ceci est fait par le code \TIKZ suivant :
-{\hskip2em\verb-\edef\pt at radius{\ifx\@empty#4\@empty 2pt\else #4\fi}% rayon du point-\par\parskip0pt
-\hskip2em\verb/\expandafter\draw\expandafter[\CF at arrow@current at style,-CF]/\par
-\hskip4em\verb/(\CF at arrow@start at node)--(\CF at arrow@end at node)coordinate[midway](mid at point);/\par
-\hskip2em\verb-\filldraw(mid at point)circle(\pt at radius);%-}
+{\hskip2em\verb-\edef\pt_radius{\ifx\empty#4\empty 2pt\else #4\fi}% rayon du point-\par\parskip0pt
+\hskip2em\verb/\expandafter\draw\expandafter[\CF_arrowcurrentstyle,-CF]/\par
+\hskip4em\verb/(\CF_arrowstartnode)--(\CF_arrowendnode)coordinate[midway](mid at point);/\par
+\hskip2em\verb-\filldraw(mid at point)circle(\pt_radius);%-}
Il ne nous reste plus qu'à placer les labels s'ils existent avec la ligne suivante :
-\hskip2em\verb/\CF at arrow@display at label{#1}{0.5}{+}{\CF at arrow@start at node}{#2}{0.5}{-}{\CF at arrow@end at node}/
+\hskip2em\verb/\CF_arrowdisplaylabel{#1}{0.5}{+}{\CF_arrowstartnode}{#2}{0.5}{-}{\CF_arrowendnode}/
Voici notre flèche achevée :
-\exemple*{Flèche «-.>»}/\makeatletter
+\exemple*{Flèche «-.>»}/\catcode`\_11
\definearrow4{-.>}{%
- \edef\pt at radius{\ifx\@empty#4\@empty 2pt\else #4\fi}% rayon du point
- \CF at arrow@shift at nodes{#3}%
- \expandafter\draw\expandafter[\CF at arrow@current at style,-CF](\CF at arrow@start at node)--(\CF at arrow@end at node)
+ \edef\pt_radius{\ifx\empty#4\empty 2pt\else #4\fi}% rayon du point
+ \CF_arrowshiftnodes{#3}%
+ \expandafter\draw\expandafter[\CF_arrowcurrentstyle,-CF](\CF_arrowstartnode)--(\CF_arrowendnode)
coordinate[midway](mid at point);
- \filldraw(mid at point)circle(\pt at radius);%
- \CF at arrow@display at label{#1}{0.5}{+}{\CF at arrow@start at node}{#2}{0.5}{-}{\CF at arrow@end at node}
+ \filldraw(mid at point)circle(\pt_radius);%
+ \CF_arrowdisplaylabel{#1}{0.5}{+}{\CF_arrowstartnode}{#2}{0.5}{-}{\CF_arrowendnode}
}
-\makeatother
+\catcode`\_8
\schemestart
A \arrow{-.>} B \arrow{-.>[sur][sous][][1pt]} C \arrow{-.>[][sous]}[30] D \arrow{-.>[sur][][5pt][1.5pt]} E
\schemestop/
@@ -2146,27 +2195,29 @@
\subsection{Une flèche courbe}
Pourquoi ne pas maintenant créer une flèche courbe ? Pour rendre les choses simples, mettons qu'elle n'aura qu'un seul argument optionnel contenant le code \TIKZ qui définira le (ou les) point de contrôle, et si cet argument est vide, une flèche du type «\verb/-CF/» sera tracée.
-Si l'argument \verb-#1- n'est pas vide, ce qui nous intéresse ne sont pas \falseverb{\CF at arrow@start at node} et \falseverb{\CF at arrow@end at node} qui contiennent les noms des nœuds où seront placés les extrémités des flèches parce que l'emplacement des ces nœuds est déjà déterminés par les ancres qui sont calculés pour des flèches \emph{rectilignes} ! Nous allons plutôt prendre \falseverb{\CF at arrow@start at name} et \falseverb{\CF at arrow@end at name} qui contiennent les noms des composés (qui sont des nœuds pour \TIKZ) entre lesquels doit être tracée la flèche. Voici le code \TIKZ qui va tracer la ligne courbe entre ces deux composés :
+Si l'argument \verb-#1- n'est pas vide, ce qui nous intéresse ne sont pas \falseverb{\CF_arrowstartnode} et \falseverb{\CF_arrowendnode} qui contiennent les noms des nœuds où seront placés les extrémités des flèches parce que l'emplacement des ces nœuds est déjà déterminés par les ancres qui sont calculés pour des flèches \emph{rectilignes} ! Nous allons plutôt prendre \falseverb{\CF_arrowstartname} et \falseverb{\CF_arrowendname} qui contiennent les noms des composés (qui sont des nœuds pour \TIKZ) entre lesquels doit être tracée la flèche. Voici le code \TIKZ qui va tracer la ligne courbe entre ces deux composés :
-{\verb/\draw[shorten <=\CF at arrow@offset,shorten >=\CF at arrow@offset,\CF at arrow@current at style,-CF,/\par\parskip0pt
-\verb/(\CF at arrow@start at name).. controls #1 ..(\CF at arrow@end at name);%/}
+{\verb/\draw[shorten <=\CF_arrowoffset,shorten >=\CF_arrowoffset,\CF_arrowcurrentstyle,-CF,/\par\parskip0pt
+\verb/(\CF_arrowstartname).. controls #1 ..(\CF_arrowendname);%/}
-On doit rajouter le code \TIKZ qui permet de raccourcir la flèche tracée de la valeur \falseverb{\CF at arrow@offset} définie par \falseverb{\setarrowoffset} puisqu'on ne part pas des nœuds correspondant aux flèches rectilignes \falseverb{\CF at arrow@start at node} et \falseverb{\CF at arrow@end at node}. Il faudra donc rajouter au début de \falseverb{\CF at arrow@current at style} le code suivant :
-\centerverb/shorten <=\CF at arrow@offset, shorten >=\CF at arrow@offset/
+On doit rajouter le code \TIKZ qui permet de raccourcir la flèche tracée de la valeur \falseverb{\CF_arrowoffset} définie par \falseverb{\setarrowoffset} puisqu'on ne part pas des nœuds correspondant aux flèches rectilignes \falseverb{\CF_arrowstartnode} et \falseverb{\CF_arrowendnode}. Il faudra donc rajouter au début de \falseverb{\CF_arrowcurrentstyle} le code suivant :
+\begin{center}
+ \verb/shorten <=\CF_arrowoffset, shorten >=\CF_arrowoffset/
+\end{center}
c'est ce que font les deux lignes qui suivent le \verb-\else-.
Voici donc notre flèche :
-\exemple*{Flèche courbe}/\makeatletter
+\exemple*{Flèche courbe}/\catcode`\_11
\definearrow1{s>}{%
-\ifx\@empty#1\@empty
- \expandafter\draw\expandafter[\CF at arrow@current at style,-CF](\CF at arrow@start at node)--(\CF at arrow@end at node);%
+\ifx\empty#1\empty
+ \expandafter\draw\expandafter[\CF_arrowcurrentstyle,-CF](\CF_arrowstartnode)--(\CF_arrowendnode);%
\else
- \def\curvedarrow at style{shorten <=\CF at arrow@offset,shorten >=\CF at arrow@offset,}%
- \CF at expadd@tocs\curvedarrow at style\CF at arrow@current at style
- \expandafter\draw\expandafter[\curvedarrow at style,-CF](\CF at arrow@start at name)..controls#1..(\CF at arrow@end at name);
+ \def\curvedarrow_style{shorten <=\CF_arrowoffset,shorten >=\CF_arrowoffset,}%
+ \CF_eaddtomacro\curvedarrow_style\CF_arrowcurrentstyle
+ \expandafter\draw\expandafter[\curvedarrow_style,-CF](\CF_arrowstartname)..controls#1..(\CF_arrowendname);
\fi
}
-\makeatother
+\catcode`\_8
\schemestart
A\arrow{s>}
B\arrow{s>[+(0.5cm,0.5cm)]}
@@ -2268,10 +2319,10 @@
\schemestop/
\section{Le signe +}\label{signe+}
-Entre les commandes \falseverb{\schemestart} et \falseverb{\schemestop}, on dispose de la macro «\falseverb\+» qui affiche un signe ${}+{}$. Elle admet un argument optionnel \emph{entre accolades} contenant 3 dimensions sous cette forme \verb-{<dim1>,<dim2>,<dim3>}- où :
+Entre les commandes \falseverb{\schemestart} et \falseverb{\schemestop}, on dispose de la macro «\falseverb\+» qui affiche un signe ${}+{}$. Elle admet un argument optionnel \emph{entre accolades} contenant 3 dimensions sous cette forme \Verb-{<dim1>,<dim2>,<dim3>}- où :
\begin{itemize}
- \item \verb-<dim1>- et \verb-<dim2>- sont les dimensions qui vont être insérées avant et après le signe ${}+{}$;
- \item \verb-<dim3>- est le décalage vertical que l'on veut faire subir au signe.'
+ \item \Verb-<dim1>- et \Verb-<dim2>- sont les dimensions qui vont être insérées avant et après le signe ${}+{}$;
+ \item \Verb-<dim3>- est le décalage vertical que l'on veut faire subir au signe.'
\end{itemize}
On peut également spécifier ces dimensions pour tous les signes ${}+{}$ à l'aide des \chevrons{clés} \CFkv{+ sep left}{dim}, \CFkv{+ sep right}{dim} et \CFkv{+ vshift}{dim}. Ces dimensions ont pour valeur par défaut 0.5em pour les deux premières et 0pt pour la troisième.
@@ -2336,9 +2387,8 @@
\begin{center}
\begin{longtable}{>\footnotesize l>\footnotesize p{9cm}}\\\hline
\hfill\normalsize Commandes\hfill\null &\hfill\normalsize Description\hfill\null\\\hline
-\falseverb\chemfig\verb-<code>-&dessine la molécule dont le dessin est décrit par le \verb-<code>-\\
-\falseverb\chemfig\verb-*<code>-&comme ci-dessus, mais les liaisons ont des longueurs fixes\\
-\verb|\setchemfig|&règle les paramètres selon la syntaxe \chevrons{clé}$=$\chevrons{valeur}. En voici la liste avec les valeurs par défaut:
+\Verb-\chemfig[<paramètres>]{<code>}-&dessine la molécule dont le dessin est décrit par le \Verb-<code>-\\
+\Verb|\setchemfig{<paramètres>}|&règle les paramètres selon la syntaxe \chevrons{clé}$=$\chevrons{valeur}. En voici la liste avec les valeurs par défaut:
\begin{itemize}
\item \CFkv{chemfig style} {{}}: style passé à \TIKZ
\item \CFkv{atom style} {{}}: style des nœuds (atomes)
@@ -2348,7 +2398,7 @@
\item \CFkv{cram width} {1.5ex}: dimension de la base des triangles des liaisons de Cram
\item \CFkv{cram dash width} {1pt}: largeur des pointillés des liaisons de Cram
\item \CFkv{cram dash sep} {2pt}: espacement des pointillés des liaisons de Cram
- \item \CFkv{atom sep} {3em}: espcement entre atomes
+ \item \CFkv{atom sep} {3em}: espacement entre atomes
\item \CFkv{bond offset} {2pt}: espacement entre l'atome et la liaison
\item \CFkv{double bond sep} {2pt}: espacement entre les traits des liaisons multiples
\item \CFkv{angle increment} {45}: incrément de l'angle des liaisons
@@ -2358,8 +2408,9 @@
\item \CFkv{lewis sep} {0.4ex}: espacement entre l'atome et les décorations de Lewis
\item \CFkv{lewis length} {1.5ex}: longueur des décorations de Lewis
\item \CFkv{lewis style} {{}}: style des décorations de Lewis
- \item \CFkv{lewis dist} {0.3em}: espacement entre les disques pour la décoratikon «\string:»
+ \item \CFkv{lewis dist} {0.3em}: espacement entre les disques pour la décoration «\string:»
\item \CFkv{lewis radius} {0.15ex}: rayon des disques des décorations de Lewis
+ \item \CFkv{lewis diag coeff} {1}: coefficient multiplicatif de la distance dans les directions impaires
\item \CFkv{cycle radius coeff} {0.75}: coefficient du cercle ou de l'arc de cercle tracé dans les cycles
\item \CFkv{stack sep} {1.5pt}: espacement vertical pour les arguments des macros \verb-\chemabove- et \verb-\chembelow-
\item \CFkv{compound style} {{}}: style des composés
@@ -2373,36 +2424,38 @@
\item \CFkv{arrow double harpoon}{true}: booléen pour le tracé des doubles flèches sous forme de «harpon»
\item \CFkv{arrow label sep} {3pt}: espacement entre la flèche et son texte
\item \CFkv{arrow head} {-CF}: style des pointes de flèches
- \item \CFkv{+ sep left} {0.5em}: espcement avant le signe $+$
+ \item \CFkv{+ sep left} {0.5em}: espacement avant le signe $+$
\item \CFkv{+ sep right} {0.5em}: espacement après le signe $+$
\item \CFkv{+ vshift} {0pt}: décalage vertical du signe $+$
\end{itemize}
\\
+\verb|\resetchemfig|&Restaure les paramètres à leurs valeurs par défaut\\
\falseverb\printatom & cette macro affiche les atomes dans les molécules. Elle peut être redéfinie pour personnaliser l'affichage, voir page~\pageref{perso.affichage}\\
\falseverb\hflipnext&la prochaine molécule sera inversée horizontalement\\
\falseverb\vflipnext&la prochaine molécule sera inversée verticalement\\
-\falseverb\definesubmol\verb-{<nom>}[code1]{<code2>}- & créé un alias \verb-!<nom>- que l'on peut placer dans le code des molécules à dessiner qui remplace le \verb-<code1>- ou le \verb-<code2>- selon l'inclinaison de la dernière liaison. Voir page~\pageref{definesubmol}\\
+\Verb-\definesubmol{<nom>}<n>[<code1>]{<code2>}- & créé un alias \Verb-!<nom>- que l'on peut placer dans le code des molécules à dessiner qui remplace le \Verb-<code1>- ou le \Verb-<code2>- selon l'inclinaison de la dernière liaison. Voir page~\pageref{definesubmol}\\
\falseverb\chemskipalign & Ignore le groupe d'atomes en cours pour le mécanisme d'alignement vertical. Voir page~\pageref{chemskipalign}.\\
-\falseverb\redefinesubmol\verb-{<nom>}{<code>}-& remplace l'alias déjà existant \verb-!<nom>- par le nouveau \verb-<code>-. Voir page~\pageref{redefinesubmol}\\[2ex]\hline
+\Verb-\redefinesubmol{<nom>}<n>[<code1>]{<code2>}-& remplace l'alias déjà existant \Verb-!<nom>- par le nouveau \Verb-<code>-. Voir page~\pageref{redefinesubmol}\\[2ex]\hline
&\\
-\falseverb\lewis\verb-[coeff]{<codes>,<atome>}-& affiche l'\verb-<atome>- et positionne les décorations de Lewis selon ce qui est spécifié dans le \verb-<code>-. Les décorations dessinées ne modifient pas la boîte englobante de l'\verb-<atome>-. Voir page~\pageref{lewis}\\
-\falseverb\Lewis\verb-[coeff]{<codes>,<atome>}-& affiche l'\verb-<atome>- et positionne les décorations de Lewis selon ce qui est spécifié dans le \verb-<code>-. Voir page~\pageref{Lewis}\\
-\falseverb\chemmove\verb-[<options tikz>]<code tikz>-& Ouvre un environnement \verb-tikzpicture- en y ajoutant à celles qui existent déjà les \verb-<options tikz>-, et relie avec le \verb-<code tikz>- les nœuds posés dans les molécules à l'aide du caractère «\verb- at -». Voir page~\pageref{mecanismes-reactionnels}.\\[2ex]\hline
+\Verb-\lewis[<paramètres>]{<codes>,<atome>}-& affiche l'\Verb-<atome>- et positionne les décorations de Lewis selon ce qui est spécifié dans le \Verb-<code>-. Les décorations dessinées ne modifient pas la boîte englobante de l'\Verb-<atome>-. Voir page~\pageref{lewis}\\
+\Verb-\Lewis[<paramètres>]{<codes>,<atome>}-& affiche l'\Verb-<atome>- et positionne les décorations de Lewis selon ce qui est spécifié dans le \Verb-<code>-. Voir page~\pageref{Lewis}\\
+\Verb-\chemmove[<options tikz>]<code tikz>-& Ouvre un environnement \verb-tikzpicture- en y ajoutant à celles qui existent déjà les \Verb-<options tikz>-, et relie avec le \Verb-<code tikz>- les nœuds posés dans les molécules à l'aide du caractère «\verb- at -». Voir page~\pageref{mecanismes-reactionnels}.\\[2ex]\hline
&\\
-\falseverb\chemabove\verb-[<dim>]{<txt1>}{txt2}- & écrit le \verb-<txt1>- et positionne le \verb-<txt2>- au dessus en laissant \verb-<dim>- d'espacement vertical. Cette commande ne change pas la boîte englobante de \verb-<txt1>-. Voir page~\pageref{chemabove}\\
-\falseverb\chembelow\verb-[<dim>]{<txt1>}{txt2}- & écrit le \verb-{txt1}- et positionne le \verb-<txt2>- au dessous en laissant \verb-<dim>- d'espacement vertical. Cette commande ne change pas la boîte englobante de \verb-<txt1>-. Voir page~\pageref{chemabove}\\
-\falseverb\Chemabove\verb-[<dim>]{<txt1>}{txt2}- & écrit le \verb-<txt1>- et positionne le \verb-<txt2>- au dessus en laissant \verb-<dim>- d'espacement vertical. Voir page~\pageref{chemabove}\\
-\falseverb\Chembelow\verb-[<dim>]{<txt1>}{txt2}- & écrit le \verb-{txt1}- et positionne le \verb-<txt2>- au dessous en laissant \verb-<dim>- d'espacement vertical. Voir page~\pageref{chembelow}\\
-\falseverb\chemname\verb-[<dim>]{<molécule>}{<nom>}- & Affiche le \verb-<nom>- sous la \verb-<molécule>-. Voir page~\pageref{chemname}\\
+\Verb-\chemabove[<dim>]{<txt1>}{txt2}- & écrit le \Verb-<txt1>- et positionne le \Verb-<txt2>- au dessus en laissant \Verb-<dim>- d'espacement vertical. Cette commande ne change pas la boîte englobante de \Verb-<txt1>-. Voir page~\pageref{chemabove}\\
+\Verb-\chembelow[<dim>]{<txt1>}{txt2}- & écrit le \Verb-{txt1}- et positionne le \Verb-<txt2>- au dessous en laissant \Verb-<dim>- d'espacement vertical. Cette commande ne change pas la boîte englobante de \Verb-<txt1>-. Voir page~\pageref{chemabove}\\
+\Verb-\Chemabove[<dim>]{<txt1>}{txt2}- & écrit le \Verb-<txt1>- et positionne le \Verb-<txt2>- au dessus en laissant \Verb-<dim>- d'espacement vertical. Voir page~\pageref{chemabove}\\
+\Verb-\Chembelow[<dim>]{<txt1>}{txt2}- & écrit le \Verb-{txt1}- et positionne le \Verb-<txt2>- au dessous en laissant \Verb-<dim>- d'espacement vertical. Voir page~\pageref{chembelow}\\
+\Verb-\chemname[<dim>]{<molécule>}{<nom>}- & Affiche le \Verb-<nom>- sous la \Verb-<molécule>-. Voir page~\pageref{chemname}\\
\falseverb\chemnameinit & initialise la plus grande profondeur des molécules rencontrées pour avoir un alignement correct de leurs noms. Voir page~\pageref{chemnameinit}\\[2ex]\hline
&\\
\falseverb\schemestart\dots\falseverb\schemestop& balises entre lesquelles un schéma réactionnel est tracé. Voir page~\pageref{schemestart}.\\
\falseverb\arrow& trace une flèche dans un schéma réactionnel (la commande n'est définie que dans un schéma réactionnel). Voir page~\pageref{arrow} et suivantes.\\
\falseverb\+ & affiche un signe $+$ dans un schéma réactionnel (la commande n'est définie que dans un schéma réactionnel). Voir page~\pageref{signe+}.\\
-\falseverb\subscheme\verb-{<code>}- & trace un sous schéma réactionnel (la commande n'est définie que dans un schéma réactionnel). Voir page~\pageref{subscheme}.\\
+\Verb-\subscheme{<code>}- & trace un sous schéma réactionnel (la commande n'est définie que dans un schéma réactionnel). Voir page~\pageref{subscheme}.\\
\falseverb\definearrow & définit une flèche. Voir page~\pageref{definearrow}.\\
-\falseverb\chemleft\verb-<car1><matériel>-\falseverb\chemright\verb-<car1>-& trace des delimiteurs extensibles définis par \verb-<car1>- et \verb-<car2>- à gauche et à droite du \verb-<matériel>-, voir page~\pageref{chemleft}.\\
-\falseverb\chemup\verb-<car1><matériel>-\falseverb\chemdown\verb-<car1>-& trace des delimiteurs extensibles définis par \verb-<car1>- et \verb-<car2>- au dessus et au dessous du \verb-<matériel>-, voir page~\pageref{chemup}.\\\hline
+\Verb-\chemleft<car1><matériel>-\falseverb\chemright\Verb-<car1>-& trace des délimiteurs extensibles définis par \Verb-<car1>- et \Verb-<car2>- à gauche et à droite du \Verb-<matériel>-, voir page~\pageref{chemleft}.\\
+\Verb-\chemup<car1><matériel>-\falseverb\chemdown\Verb-<car1>-& trace des délimiteurs extensibles définis par \Verb-<car1>- et \Verb-<car2>- au dessus et au dessous du \Verb-<matériel>-, voir page~\pageref{chemup}.\\
+\Verb|\polymerdelim[<paramètres]{<nœud1>}{nœud2>}|& trace des délimiteurs aux nœuds spécifiés, voir page~\pageref{polymerdelim}\\\hline
\end{longtable}
\end{center}
\newpage
@@ -2410,7 +2463,7 @@
\part{Galerie}
Ce manuel s'achève avec des dessins de molécules plus ou moins complexes.
-L'utilisateur curieux pourra s'intéresser au \verb-<code>- de chaque molécule, bien que celui-ci devienne parfois rebutant lorsqu'elles deviennent complexes. En effet, au delà d'un certain niveau de complexité, bien qu'il soit est assez facile d'écrire un \verb-<code>- pour dessiner une molécule, il est assez ardu de relire ce \verb-<code>- pour l'analyser a posteriori. On atteint rapidement les limites de la lisibilité immédiate du code d'un dessin complexe.
+L'utilisateur curieux pourra s'intéresser au \Verb-<code>- de chaque molécule, bien que celui-ci devienne parfois rebutant lorsqu'elles deviennent complexes. En effet, au delà d'un certain niveau de complexité, bien qu'il soit est assez facile d'écrire un \Verb-<code>- pour dessiner une molécule, il est assez ardu de relire ce \Verb-<code>- pour l'analyser a posteriori. On atteint rapidement les limites de la lisibilité immédiate du code d'un dessin complexe.
Quoi qu'il en soit, j'espère que cette extension aidera tous les utilisateurs de \LaTeX{} qui souhaitent dessiner des molécules chimiques. Bien que \CF ait été testé de façon approfondie et que le numéro de version soit supérieur à 1.0, j'espère que vous serez indulgent quant aux bugs rencontrés. Un \href{mailto:unbonpetit at netc.fr}{\texttt{\textbf{email}}} pour me signaler tout dysfonctionnement ou toute proposition d'amélioration sera bienvenu.\nobreak
@@ -2769,27 +2822,6 @@
\chemnameinit{}/
\endgroup
-\exemple*{Cristallographie}/\newcommand\disk{\tikz\draw[fill=black,overlay](0,0)circle(2pt);}
-\setchemfig{atom sep=20pt,bond offset=2pt}
-\renewcommand\printatom[1]{#1}
-\definesubmol{hat}{-[:40,1.5]\disk-[::-30,2]\disk-[::-30,2]\disk-[::-120,2]\disk-[::-30,2]\disk}
-\definesubmol{motif}{-[:40,1.5]\disk(-[2,3])-[::-30,2]\disk
-(-[2,3])-[::-30,2]\disk(-[2,3])-[::-120,2]\disk(-[2,3])-[::-30,2]\disk}
-\chemfig{\disk?[a](-[2,3]\disk?[b](-[2,3]\disk?[c]!{hat}?[c])!{motif}?[b](-[2,3]))!{motif}?[a](-[2,3])}
-\qquad
-\redefinesubmol{motif}{\disk(-[2,3])(-[:42,3.6,,,draw=none]\disk)-[:30,2.6]\disk
-(-[2,3])-[0,3]\disk(-[2,3])-[:-150,2.6]\disk(-[4,3])-[2,3]-[4,3]}
-\redefinesubmol{hat}{\disk-[:30,2.6]\disk-[0,3]\disk-[:-150,2.6]\disk-[4,3]}
-\chemfig{!{motif}!{motif}!{hat}}
-\qquad
-\redefinesubmol{motif}{(-[2,3])(-[:25,2.75,,,white]-[2,1.5,,,white]\disk)-[:50,3]\disk
-(-[2,3])-[::-50,3]\disk(-[2,3])-[::-130,3]\disk-[2,3]-[4,3]\disk}
-\redefinesubmol{hat}{-[:50,3]\disk-[::-50,3]\disk-[::-130,3]\disk}
-\chemfig{-[4,3]\disk!{motif}(-[:25,2.75,,,draw=none]\disk?[uat]?[dat](-[::0,2.75]?[uat1]?[dat1]
--[::-90,1.3]\disk?[uat2]?[dat2])-[::-90,1.3]-[:25,2.75])!{hat}?[uat3]?[dat3]-[:50,1.5]
-(-[6,1.5,,,draw=none]\disk?[dat,,,blue]?[dat1,,,blue]?[dat2,,,blue]?[dat3,,,blue])
--[2,1.5,,,draw=none]\disk?[uat,,,red]?[uat1,,,red]?[uat2,,,red]?[uat3,,,red]}/
-
\exemple*{Taxotère}/\chemfig{-[::-30](-[5])(-[7])-[::+60]-[::-60]O-[::+60](=[::-45]O)-[::+90]HN>:[::-60](-[::+60]**6(------))
-[::-30](<:[2]OH)-[::-60](=[6]O)-[::+60]O>:[::-60]*7(---?(<[::-120]OH)-(<|[1]CH_3)(<:[::-90]CH_3)
-(-[1](<[::+80]HO)-[0](=[::+60]O)-[7](<|[::+130]CH_3)(-[::+75](<|[2]OH)-[::-60]-[::-60](<[::+30]O-[::-90])
Modified: trunk/Master/texmf-dist/tex/generic/chemfig/chemfig.sty
===================================================================
--- trunk/Master/texmf-dist/tex/generic/chemfig/chemfig.sty 2019-05-04 21:11:40 UTC (rev 50982)
+++ trunk/Master/texmf-dist/tex/generic/chemfig/chemfig.sty 2019-05-04 21:12:17 UTC (rev 50983)
@@ -2,6 +2,6 @@
\input chemfig.tex
\ProvidesPackage\CFname[\CFdate\space v\CFver\space Draw molecule with an easy syntax (CT)]
\def\printatom#1{\ensuremath{\mathrm{#1}}}% \printatom pour LaTeX.
-\def\CF at begin@tikzpicture{\begin{tikzpicture}}%
-\def\CF at end@tikzpicture{\end{tikzpicture}}%
+\expandafter\def\csname CF\string_begintikzpicture\endcsname{\begin{tikzpicture}}%
+\expandafter\def\csname CF\string_endtikzpicture\endcsname{\end{tikzpicture}}%
\endinput
\ No newline at end of file
Modified: trunk/Master/texmf-dist/tex/generic/chemfig/chemfig.tex
===================================================================
--- trunk/Master/texmf-dist/tex/generic/chemfig/chemfig.tex 2019-05-04 21:11:40 UTC (rev 50982)
+++ trunk/Master/texmf-dist/tex/generic/chemfig/chemfig.tex 2019-05-04 21:12:17 UTC (rev 50983)
@@ -4,9 +4,9 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% %
\def\CFname {chemfig} %
-\def\CFver {1.34} %
+\def\CFver {1.4} %
% %
-\def\CFdate {2019/02/23} %
+\def\CFdate {2019/04/18} %
% %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%
@@ -39,6 +39,7 @@
Package: \CFname\space\CFdate\space\space v\CFver\space\space
Draw molecule with an easy syntax (CT)}%
\fi
+
%------------------------- V\xE9rification etex -------------------------
\begingroup
\edef\CFtempa{\meaning\eTeXversion}
@@ -66,126 +67,284 @@
%-------------------------- R\xE9gime catcodes --------------------------
\begingroup
\def\X#1{\catcode\number`#1=\number\catcode`#1\relax}
- \xdef\CFrestorecatcode{\X\[\X\]\X\:\X\(\X\)\X\,\X\-\X\=\X\~\X\!\X\?\X\<\X\>\X\;\X\*\X\|\X\@\X\ }%
+ \xdef\CFrestorecatcode{\X\[\X\]\X\:\X\(\X\)\X\,\X\-\X\=\X\~\X\!\X\?\X\<\X\>\X\;\X\*\X\|\X\@\X\ \X\_}%
\endgroup
\catcode`\[12 \catcode`\]12 \catcode`\:12 \catcode`\(12
\catcode`\)12 \catcode`\,12 \catcode`\-12 \catcode`\=12
\catcode`\~12 \catcode`\!12 \catcode`\?12 \catcode`\<12
\catcode`\>12 \catcode`\;12 \catcode`\*12 \catcode`\|12
-\catcode`\@11 \catcode`\#6 \catcode`\ 10
+\catcode`\@12 \catcode`\#6 \catcode`\ 10 \catcode`\_11
%--------------------------- Allocations -----------------------------
-\newcount\CF at cnt@atomingroup
-\newcount\CF at cnt@groupnumber
-\newcount\CF at cnt@atomnumber
-\newcount\CF at cnt@cycle
-\newcount\CF at compound@cnt
+\newcount\CF_cntatomgroup
+\newcount\CF_cntgroup
+\newcount\CF_cntatom
+\newcount\CF_cntcycle
+\newcount\CF_cntcompound
-\newif\ifCF at incycle
-\newif\ifCF at cyclearc
-\newif\ifCF at definesubmol
-\newif\ifCF at name@dp at adjust
-\newif\ifCF at macrofixedbondlength
-\newif\ifCF at name@start
-\newif\ifCF at name@end
+\newif\ifCF_incycle
+\newif\ifCF_cyclearc
+\newif\ifCF_definesubmol
+\newif\ifCF_adjustnamedp
+\newif\ifCF_macrofixedbondlength
+\newif\ifCF_lewisoverlay
-\newdimen\CF at dim
-\newdimen\CF at arrow@size
+\newdimen\CF_dim
+\newdimen\CF_arrowsize
+\newdimen\CF_zero \CF_zero=0pt
-\newbox\CF at lewis@box
-\newbox\CF at box@boxa
-\newbox\CF at stuff@box
+\newbox\CF_boxlewis
+\newbox\CF_box
+\newbox\CF_boxstuff
+\newtoks\CF_substtoks
+
%-------------------------- Petites macros ---------------------------
-\def\CF at quark{\CF at quark}
-\long\def\CF at execfirst#1#2{#1}
-\long\def\CF at execsecond#1#2{#2}
-\long\def\CF at id#1{#1}
-\long\def\CF at gobarg#1{}
-\long\def\CF at gobtwoargs#1#2{}
-\def\CF at firsttonil#1#2\@nil{#1}
-\def\CF at sanitize@lastitem#1,\empty#2\@nil{#1}
-\def\CF at gobtikzinstruction#1;{}
-\def\CF at makeother#1{\catcode`#1=12\relax}
-\def\CF at lettoken#1#2{\let#1= #2}\CF at lettoken\CF at sptoken{ }
-\def\CF at ifx#1#2{\ifx#1#2\expandafter\CF at execfirst\else\expandafter\CF at execsecond\fi}
-\def\CF at ifempty#1{\ifx\empty#1\empty\expandafter\CF at execfirst\else\expandafter\CF at execsecond\fi}
-\def\CF at doifempty#1{\ifx\empty#1\empty\expandafter\CF at id\else\expandafter\CF at gobarg\fi}
-\def\CF at doifnotempty#1{\ifx\empty#1\empty\expandafter\CF at gobarg\else\expandafter\CF at id\fi}
-\def\CF at gobtonil#1\@nil{}
-\edef\CF at hash{\string#}
-\edef\CF at arobas{\string @}
-\def\CF at three@ea{\expandafter\expandafter\expandafter}
-\def\CF at exp@macroarg#1#2{\expandafter#1\expandafter{#2}}
-\def\CF at eexp@macroarg#1#2{\expandafter\expandafter\expandafter#1\expandafter\expandafter\expandafter{#2}}
-\def\CF at exp@twomacroargs#1#2#3{\CF at exp@second{\CF at exp@macroarg#1{#2}}{#3}}
-\def\CF at exp@threemacroargs#1#2#3#4{\CF at exp@second{\CF at exp@twomacroargs#1{#2}{#3}}{#4}}
-\def\CF at swap@arg#1#2{#2{#1}}
-\def\CF at exp@second#1#2{\CF at exp@macroarg\CF at swap@arg{#2}{#1}}% \CF at exp@second<{arg1>}{<arg2>} donne "<arg1>{*<arg2>}"
-\def\CF at eexp@second#1#2{\CF at eexp@macroarg\CF at swap@arg{#2}{#1}}% \CF at eexp@second{<arg1>}{<arg2>} donne "<arg1>{**<arg2>}"
-\def\CF at swap@unarg#1#2{#2#1}
-\def\CF at exp@after#1#2{\CF at exp@macroarg\CF at swap@unarg{#2}{#1}}% \CF at exp@after{<arg1>}{<arg2>} donne "<arg1>*<arg2>"
-\def\CF at eexp@after#1#2{\CF at eexp@macroarg\CF at swap@unarg{#2}{#1}}% \CF at eexp@after{<arg1>}{<arg2>} donne "<arg1>**<arg2>"
-\def\CF at add@tocs#1#2{\CF at exp@second{\def#1}{#1#2}}
-\def\CF at eadd@tocs#1#2{\CF at exp@second{\CF at add@tocs#1}{#2}}\let\CF at expadd@tocs\CF at eadd@tocs
-\def\CF at preadd@tocs#1#2{\CF at exp@second{\CF at preadd@tocs at a#1{#2}}#1}
-\def\CF at preadd@tocs at a#1#2#3{\def#1{#2#3}}
-\def\CF at edefadd@tocs#1#2{%
- \edef\CF at tmp@str{#2}%
- \CF at exp@second{\CF at add@tocs#1}{\CF at tmp@str}%
+\let\CF_begintikzpicture\tikzpicture
+\let\CF_endtikzpicture \endtikzpicture
+\def\CF_quark{\CF_quark}
+\def\CF_execfirst#1#2{#1}
+\def\CF_execsecond#1#2{#2}
+\def\CF_id#1{#1}
+\def\CF_gobarg#1{}
+\def\CF_gobtwoargs#1#2{}
+\def\CF_firsttonil#1#2\_nil{#1}
+\def\CF_sanitizelastitem#1,\empty#2\_nil{#1}
+\def\CF_gobtikzinstruction#1;{}
+\def\CF_makeother#1{\catcode`#1=12\relax}
+\def\CF_lettoken#1#2{\let#1= #2}\CF_lettoken\CF_sptoken{ }
+\def\CF_ifx#1#2{\ifx#1#2\expandafter\CF_execfirst\else\expandafter\CF_execsecond\fi}
+\def\CF_ifempty#1{\ifx\empty#1\empty\expandafter\CF_execfirst\else\expandafter\CF_execsecond\fi}
+\def\CF_ifnum#1{\ifnum#1\expandafter\CF_execfirst\else\expandafter\CF_execsecond\fi}
+\def\CF_doifempty#1{\ifx\empty#1\empty\expandafter\CF_id\else\expandafter\CF_gobarg\fi}
+\def\CF_doifnotempty#1{\ifx\empty#1\empty\expandafter\CF_gobarg\else\expandafter\CF_id\fi}
+\def\CF_gobtonil#1\_nil{}
+\edef\CFhash{\string#}
+\begingroup
+ \catcode`\_8
+ \expandafter\gdef\csname CF\string_underscore\endcsname{_}
+\endgroup
+\def\CF_threeea{\expandafter\expandafter\expandafter}
+\def\CF_exptwomacroargs#1#2#3{\CF_expsecond{\CF_expsecond#1{#2}}{#3}}
+\def\CF_expthreemacroargs#1#2#3#4{\CF_expsecond{\CF_exptwomacroargs#1{#2}{#3}}{#4}}
+\def\CF_swaparg#1#2{#2{#1}}
+\def\CF_expsecond#1#2{\expandafter\CF_swaparg\expandafter{#2}{#1}}% \CF_expsecond<{arg1>}{<arg2>} donne "<arg1>{*<arg2>}"
+\def\CF_eexpsecond#1#2{\expandafter\expandafter\expandafter\CF_swaparg\expandafter\expandafter\expandafter{#2}{#1}}% \CF_eexpsecond{<arg1>}{<arg2>} donne "<arg1>{**<arg2>}"
+\def\CF_swapunbrace#1#2{#2#1}
+\def\CF_expafter#1#2{\expandafter\CF_swapunbrace\expandafter{#2}{#1}}% \CF_expafter{<arg1>}{<arg2>} donne "<arg1>*<arg2>"
+\def\CF_eexpafter#1#2{\expandafter\expandafter\expandafter\CF_swapunbrace\expandafter\expandafter\expandafter{#2}{#1}}% \CF_eexpafter{<arg1>}{<arg2>} donne "<arg1>**<arg2>"
+\def\CF_addtomacro#1#2{\CF_expsecond{\def#1}{#1#2}}
+\def\CF_eaddtomacro#1#2{\CF_expsecond{\CF_addtomacro#1}{#2}}
+\def\CF_preaddtomacro#1#2{\CF_expsecond{\CF_preaddtomacroa#1{#2}}#1}
+\def\CF_preaddtomacroa#1#2#3{\def#1{#2#3}}
+\def\CF_addtotoks#1#2{#1\expandafter{\the#1#2}}
+\def\CF_eaddtotoks#1#2{\expandafter\CF_addtotoks\expandafter#1\expandafter{#2}}
+\def\CF_assigntonil#1#2\_nil{\def#1{#2}}
+\def\CF_edefaddtomacro#1#2{%
+ \edef\CF_temp{#2}%
+ \CF_expsecond{\CF_addtomacro#1}{\CF_temp}%
}
-\long\def\CF at ifnextchar#1#2#3{%
- \let\CF at ifnextchar@tok=#1% <- espace ind\xE9sirable, bugfix v1.31
- \def\CF at ifnextchar@codetrue{#2}%
- \def\CF at ifnextchar@codefalse{#3}%
- \futurelet\CF at temptok\CF at ifnextchar@i}
-\def\CF at ifnextchar@i{%
- \CF at ifx\CF at temptok\CF at sptoken
- \CF at ifnextchar@ii
- {\CF at ifx\CF at temptok\CF at ifnextchar@tok\CF at ifnextchar@codetrue\CF at ifnextchar@codefalse}%
+\def\CF_ifnextchar#1#2#3{%
+ \let\CF_ifnextchartok=#1% <- espace ind\xE9sirable, bugfix v1.31
+ \def\CF_ifnextcharcodetrue{#2}%
+ \def\CF_ifnextcharcodefalse{#3}%
+ \futurelet\CF_temptok\CF_ifnextchara
}
-\expandafter\def\expandafter\CF at ifnextchar@ii\space{\futurelet\CF at temptok\CF at ifnextchar@i}
-\def\CF at ifstar#1{\CF at ifnextchar*{\CF at execfirst{#1}}}
-\long\def\CF at testopt#1#2{\CF at ifnextchar[{#1}{#1[{#2}]}}
-\def\CF at error#1{\errmessage{Package \CFname\space Error: #1.}}
-\def\CF at warning#1{\immediate\write-1{Package \CFname\space Warning: #1^^J}}
-\def\CF at if@integer#1{%
+\def\CF_ifnextchara{%
+ \CF_ifx\CF_temptok\CF_sptoken
+ {\CF_ifnextcharb
+ }
+ {\CF_ifx\CF_temptok\CF_ifnextchartok
+ \CF_ifnextcharcodetrue
+ \CF_ifnextcharcodefalse
+ }%
+}
+\expandafter\def\expandafter\CF_ifnextcharb\space{\futurelet\CF_temptok\CF_ifnextchara}
+\def\CF_ifstar#1{\CF_ifnextchar*{\CF_execfirst{#1}}}
+\def\CF_testopt#1#2{\CF_ifnextchar[{#1}{#1[{#2}]}}
+\def\CF_error#1{\errmessage{Package \CFname\space Error: #1.}}
+\def\CF_warning#1{\immediate\write-1{Package \CFname\space Warning: #1^^J}}
+\def\CF_ifinteger#1{%
\begingroup
- \afterassignment\CF at after@integer
- \CF at cnt@cycle0#1\relax
+ \afterassignment\CF_afterinteger
+ \CF_cntcycle0#1\relax
}
-\def\CF at after@integer#1\relax{%
+\def\CF_afterinteger#1\relax{%
\endgroup
- \CF at ifempty{#1}%
+ \CF_ifempty{#1}%
}
-\def\CF at if@firsttokmatch#1#2{% est ce que #1 et #2 commencent par les m\xEAmes tokens ?
- \futurelet\CF at toks@a\CF at gobtonil#1\relax\@nil
- \futurelet\CF at toks@b\CF at gobtonil#2\relax\@nil
- \CF at ifx\CF at toks@a\CF at toks@b
+\def\CF_iffirsttokmatch#1#2{% est ce que #1 et #2 commencent par les m\xEAmes tokens ?
+ \futurelet\CF_toksa\CF_gobtonil#1\relax\_nil
+ \futurelet\CF_toksb\CF_gobtonil#2\relax\_nil
+ \CF_ifx\CF_toksa\CF_toksb
}
-\def\CF at if@firsttokin#1{% teste si le token qui commence #1 appartient aux tokens mis dans #2
- \futurelet\CF at toks@a\CF at gobtonil#1\relax\@nil
- \CF at if@firsttokin at a
+\def\CF_iffirsttokin#1{% teste si le token qui commence #1 appartient aux tokens mis dans #2
+ \futurelet\CF_toksa\CF_gobtonil#1\relax\_nil
+ \CF_iffirsttokina
}
-\def\CF at if@firsttokin at a#1{%
- \CF at ifempty{#1}
- \CF at execsecond
- {\futurelet\CF at toks@b\CF at gobtonil#1\relax\@nil
- \CF at ifx\CF at toks@a\CF at toks@b
- \CF at execfirst
- {\CF at exp@macroarg\CF at if@firsttokin at a{\CF at gobarg#1}}%
+\def\CF_iffirsttokina#1{%
+ \CF_ifempty{#1}
+ {\CF_execsecond
+ }
+ {\futurelet\CF_toksb\CF_gobtonil#1\relax\_nil
+ \CF_ifx\CF_toksa\CF_toksb
+ {\CF_execfirst}
+ {\CF_expsecond\CF_iffirsttokina{\CF_gobarg#1}}%
}%
}
-\def\CF at if@instr#1#2{%
- \def\CF at if@instr at a##1#2##2\@nil{\ifx\empty##2\empty\expandafter\CF at execsecond\else\expandafter\CF at execfirst\fi}%
- \CF at if@instr at a#1\@@nil#2\@nil
+\def\CF_ifinstr#1#2{%
+ \def\CF_ifinstra##1#2##2\_nil{%
+ \ifx\empty##2\empty
+ \expandafter\CF_execsecond
+ \else
+ \expandafter\CF_execfirst
+ \fi}%
+ \CF_ifinstra#1\__nil#2\_nil
}
-\def\CF at after@space#1 #2\@nil{#2}
-\def\CF at valuetomacro#1[#2]#3{% #1= macro #2=valeur d\xE9faut #3=cl\xE9
- \CF at eexp@second{\def#1}{\useKV[chemfig]{#3}}%
- \ifx#1\empty\def#1{#2}\fi
+\def\CF_afterspace#1 #2\_nil{#2}
+\def\CF_valuetomacro#1[#2]#3{% #1= macro #2=valeur d\xE9faut #3=cl\xE9
+ \CF_eexpsecond{\def#1}{\useKV[chemfig]{#3}}%
+ \CF_ifx#1\empty
+ {\def#1{#2}}
+ {}%
}
+%--------------------------- Substitution ----------------------------
+\def\CF_ifstartwith#1#2{% #1=<texte> #2=<motif>
+ \CF_ifempty{#1}%
+ {\CF_execsecond
+ }
+ {\def\CF_startwithcode{#1}%
+ \def\CF_startwithpattern{#2}%
+ \CF_ifstartwitha
+ }%
+}
+\def\CF_ifstartwitha{%
+ \CF_grabfirstarg\CF_startwithcode\CF_firstargcode
+ \CF_grabfirstarg\CF_startwithpattern\CF_firstargpattern
+ \CF_ifx\CF_firstargcode\CF_firstargpattern
+ {\CF_expsecond\CF_ifempty\CF_startwithpattern
+ {\CF_execfirst
+ }
+ {\CF_expsecond\CF_ifempty\CF_startwithcode
+ \CF_execsecond
+ \CF_ifstartwitha
+ }%
+ }
+ {\CF_execsecond
+ }%
+}
+\def\CF_grabfirstarg#1#2{%
+ \CF_ifx#1\empty
+ {\let#2\empty
+ }
+ {\def\CF_grabmacro{#2}%
+ \CF_expsecond\CF_ifbracefirst#1%
+ {\expandafter\CF_grabbracearg#1\_nil#1}
+ {\CF_expafter{\futurelet\CF_nexttok\CF_grabfirstarga}#1\_nil#1}%
+ }%
+}
+\def\CF_grabfirstarga{%
+ \CF_ifx\CF_nexttok\CF_sptoken
+ \CF_grabspacearg
+ \CF_grabnormalarg
+}
+\def\CF_grabbracearg#1{%
+ \expandafter\def\CF_grabmacro{{#1}}%
+ \CF_grabargassigntonil\relax
+}
+\expandafter\def\expandafter\CF_grabspacearg\space{%
+ \expandafter\def\CF_grabmacro{ }%
+ \CF_grabargassigntonil\relax
+}
+\def\CF_grabnormalarg#1{%
+ \expandafter\def\CF_grabmacro{#1}%
+ \CF_grabargassigntonil\relax
+}
+\def\CF_grabargassigntonil#1\_nil#2{\CF_expsecond{\def#2}{\CF_gobarg#1}}
+\def\CF_ifbracefirst#1{\CF_ifnum{\catcode\CF_threeea`\expandafter\CF_firsttonil\detokenize{#1.}\_nil=1 }}
+\def\CF_substonly#1#2{% #1=entier maxi>0 #2=macro : dans la sc#1, remplace tous les <motif> par <pattern> sauf lorsque le motif est suivi d'un caract\xE8re >#1
+ \def\CF_atendsubstitute{\edef#2{\the\CF_substtoks}}% macro ex\xE9cut\xE9e \xE0 la fin
+ \let\CF_substnogroups\CF_substnogrouponly
+ \CF_ifnum{#1>0 }
+ {\let\CF_testifx\empty
+ \foreach\CF_x in {1,...,#1}{\xdef\CF_testifx{\unexpanded\expandafter{\CF_testifx}\unexpanded\expandafter{\expandafter\ifx\CF_x\CF_nexttok1\fi}}}%
+ \let\CF_testif\empty
+ \foreach\CF_x in {1,...,#1}{\xdef\CF_testif{\unexpanded\expandafter{\CF_testif}\unexpanded\expandafter{\expandafter\if\CF_x\CF_nexttok1\fi}}}%
+ \CF_expsecond\CF_substi#2%
+ }
+ {\CF_substall#2%
+ }%
+}
+\def\CF_substnogrouponly{%
+ \CF_exptwomacroargs\CF_ifstartwith\CF_substcode\CF_substsubst
+ {\CF_grabfirstarg\CF_substcode\CF_temp
+ \CF_expafter{\futurelet\CF_nexttok\CF_gobtonil}\CF_substcode\relax\_nil
+ \CF_ifnum{0\CF_testifx=1 }% si le prochain token est \let-\xE9gal \xE0 1...#1
+ {\edef\CF_nexttok{\CF_threeea\CF_firsttonil\expandafter\string\CF_substcode\_nil}% le d\xE9tok\xE9niser
+ \CF_ifnum{0\CF_testif=1 }
+ {\CF_eaddtotoks\CF_substtoks\CF_temp
+ \CF_grabfirstarg\CF_substcode\CF_temp
+ \CF_eaddtotoks\CF_substtoks\CF_temp
+ }
+ {\CF_eaddtotoks\CF_substtoks\CF_substpattern
+ }%
+ }
+ {\CF_eaddtotoks\CF_substtoks\CF_substpattern
+ }%
+ \CF_substgroups
+ }
+ {\CF_expsecond\CF_ifempty\CF_substcode
+ {\CF_atendsubstitute
+ }
+ {\CF_grabfirstarg\CF_substcode\CF_substauxarg
+ \CF_eaddtotoks\CF_substtoks\CF_substauxarg
+ \CF_substgroups
+ }%
+ }%
+}
+\def\CF_substall#1{% #1=macro
+ \def\CF_atendsubstitute{\edef#1{\the\CF_substtoks}}% macro ex\xE9cut\xE9e \xE0 la fin
+ \let\CF_substnogroups\CF_substnogroupall
+ \CF_expsecond\CF_substi#1%
+}
+\def\CF_substnogroupall{%
+ \CF_exptwomacroargs\CF_ifstartwith\CF_substcode\CF_substsubst
+ {\CF_eaddtotoks\CF_substtoks\CF_substpattern
+ \CF_grabfirstarg\CF_substcode\CF_temp
+ \CF_substgroups
+ }
+ {\CF_expsecond\CF_ifempty\CF_substcode
+ {\CF_atendsubstitute
+ }
+ {\CF_grabfirstarg\CF_substcode\CF_substauxarg
+ \CF_eaddtotoks\CF_substtoks\CF_substauxarg
+ \CF_substgroups
+ }%
+ }%
+}
+\def\CF_substi#1#2#3{% #1=<texte> #2=<motif> #3=<motif de substi>
+ \def\CF_substcode{#1}\def\CF_substsubst{#2}\def\CF_substpattern{#3}%
+ \CF_substtoks={}%
+ \CF_substgroups
+}
+
+\def\CF_substgroups{%
+ \CF_expsecond\CF_ifbracefirst\CF_substcode
+ {\CF_grabfirstarg\CF_substcode\CF_substauxarg
+ \begingroup
+ \def\CF_atendsubstitute{%
+ \expandafter\endgroup\expandafter\CF_addtotoks\expandafter\CF_substtoks\expandafter{\expandafter{\the\CF_substtoks}}%
+ \CF_substgroups
+ }%
+ \CF_substtoks{}% initialiser \xE0 vide
+ \expandafter\def\expandafter\CF_substcode\CF_substauxarg
+ \CF_substgroups
+ }%
+ {\CF_substnogroups
+ }%
+}
+
%---------------------------- Param\xE8tres -----------------------------
\def\setchemfig{\setKV[chemfig]}
\def\resetchemfig{%
@@ -209,8 +368,9 @@
lewis length =1.5ex,
lewis style ={},
lewis dist =0.3em,
- lewis radius =0.15ex,% [nouveau] rayon des disques
- cycle radius coeff =0.75,% [nouveau] coeff du rayon du cercle dans les cycles
+ lewis radius =0.15ex,
+ lewis diag coeff =1,
+ cycle radius coeff =0.75,
stack sep =1.5pt,
scheme debug =false,
compound style ={},
@@ -219,11 +379,11 @@
arrow angle =0,
arrow coeff =1,
arrow style ={},
- arrow double sep =2pt,% [nouveau] espacement entre les doubles fleches
- arrow double coeff =0.6,% [nouveau] coefficient de la petite fleche par rapport \xE0 la grande
- arrow double harpoon=true,% [nouveau] fleche double forme harpon ou pas
+ arrow double sep =2pt,
+ arrow double coeff =0.6,
+ arrow double harpoon=true,
arrow label sep =3pt,
- arrow head =-CF,% [nouveau] style de bout de fleche
+ arrow head =-CF,
+ sep left =0.5em,
+ sep right =0.5em,
+ vshift =0pt,
@@ -231,229 +391,151 @@
}
\resetchemfig
-\def\CF at warningdeprecated#1{\CF at warning{The macro \string#1 is deprecated. Please, use \string\setchemfig}}
-\def\setcrambond{%
- \CF at warningdeprecated\setcrambond
- \CF at ifstar
- {\setchemfig{cram rectangle=true }\CF at setcrambond}
- {\setchemfig{cram rectangle=false}\CF at setcrambond}%
-}
-\def\CF at setcrambond#1#2#3{\setchemfig{cram width=#1,cram dash width=#2,cram dash sep=#3}}
-\def\setatomsep#1{%
- \CF at warningdeprecated\setatomsep
- \setchemfig{atom sep=#1}%
-}
-\def\setbondoffset#1{%
- \CF at warningdeprecated\setbondoffset
- \setchemfig{bond offset=#1}%
-}
-\def\setdoublesep#1{%
- \CF at warningdeprecated\setdoublesep
- \setchemfig{double bond sep=#1}%
-}
-\def\setangleincrement#1{%
- \CF at warningdeprecated\setangleincrement
- \setchemfig{angle increment=#1}%
-}
-\def\enablefixedbondlength{%
- \CF at warningdeprecated\enablefixedbondlength
- \setchemfig{fixed length=true}%
-}
-\def\disablefixedbondlength{%
- \CF at warningdeprecated\disablefixedbondlength
- \setchemfig{fixed length=false}%
-}
-\def\setnodestyle#1{%
- \CF at warningdeprecated\setnodestyle
- \setchemfig{node style={#1}}%
-}
-\def\setbondstyle#1{%
- \CF at warningdeprecated\setbondstyle
- \setchemfig{bond style={#1}}%
-}
-\def\setlewis{%
- \CF at warningdeprecated\setlewis
- \CF at testopt\CF at setlewis{0.3ex}%
-}
-\def\CF at setlewis[#1]#2#3#4{\setchemfig{lewis | width=#1,lewis sep=#2,lewis length=#3,lewis style={#4}}}
-\def\setlewisdist#1{%
- \CF at warningdeprecated\setlewisdist
- \setchemfig{lewis dist=#1}%
-}
-\def\setstacksep#1{%
- \CF at warningdeprecated\setstacksep
- \setchemfig{stack sep=#1}%
-}
-\def\setcompoundstyle#1{%
- \CF at warningdeprecated\setcompoundstyle
- \setnodestyle\setchemfig{compound style={#1}}%
-}
-\def\CF at setdefault@a#1,#2,#3\@nil#4#5#6{%
- \setchemfig{#4=#1}%
- \CF at if@firsttokmatch\CF at quark{#2\relax}
- {\setchemfig{#5={},#6={}}}%
- {\setchemfig{#5={#2}}%
- \CF at if@firsttokmatch\CF at quark{#3\relax}
- {\setchemfig{#6={}}}%
- {\CF at setdefault@b#3\@nil{#6}}%
- }%
-}
-\def\CF at setdefault@b#1,\CF at quark#2\@nil#3{\setchemfig{#3={#1}}}
-\def\setarrowdefault#1{%
- \CF at warningdeprecated\setarrowdefault
- \CF at setdefault@a#1,\CF at quark,\CF at quark\@nil{arrow angle}{arrow coeff}{arrow style}%
-}
-\def\setandsign#1{%
- \CF at warningdeprecated\setandsign
- \CF at setdefault@a#1,\CF at quark,\CF at quark\@nil{+ sep left}{+ sep right}{+ vshift}%
-}
-\def\setarrowoffset#1{%
- \CF at warningdeprecated\setarrowoffset
- \setchemfig{arrow offset=#1}%
-}
-\def\setcompoundsep#1{%
- \CF at warningdeprecated\setcompoundsep
- \setchemfig{compound sep=#1}%
-}
-\def\setarrowlabelsep#1{%
- \CF at warningdeprecated\setarrowlabelsep
- \setchemfig{arrow label sep=#1}%
-}
-\def\enablebondjoin{%
- \CF at warningdeprecated\enablebondjoin
- \setchemfig{bond join=true}%
-}
-\def\disablebondjoin{%
- \CF at warningdeprecated\disablebondjoin
- \setchemfig{bond join=false}%
-}
-\def\schemedebug#1{%
- \CF at warningdeprecated\schemedebug
- \setchemfig{scheme debug=#1}%
-}
-
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%% D E S S I N M O L \xC9 C U L E S %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\def\CF at sanitize@catcode{%
- \CF at makeother\[\CF at makeother\]\CF at makeother\:\CF at makeother\(\CF at makeother\)%
- \CF at makeother\,\CF at makeother\-\CF at makeother\=\CF at makeother\~\CF at makeother\!%
- \CF at makeother\?\CF at makeother\<\CF at makeother\>\CF at makeother\;\CF at makeother\*%
- \CF at makeother\|\CF at makeother\#\CF at makeother\@%
+\def\CF_sanitizecatcode{%
+ \CF_makeother\[\CF_makeother\]\CF_makeother\:\CF_makeother\(\CF_makeother\)%
+ \CF_makeother\,\CF_makeother\-\CF_makeother\=\CF_makeother\~\CF_makeother\!%
+ \CF_makeother\?\CF_makeother\<\CF_makeother\>\CF_makeother\;\CF_makeother\*%
+ \CF_makeother\|\CF_makeother\#\CF_makeother\@%
}
-\def\CF at node@content{\expandafter\printatom\expandafter{\csname atom@\number\CF at cnt@atomnumber\endcsname\CF at node@strut}}
+\def\CF_nodecontent{\CF_expsecond\printatom{\csname atom_\number\CF_cntatom\endcsname\CF_nodestrut}}
\def\chemskipalign{%
- \CF at doifempty\CF at bond@outcontentsaved% sauf si un \chemskipalign a \xE9t\xE9 fait \xE0 l'atome pr\xE9c\xE9dent
- {\global\let\CF at bond@outcontentsaved\CF at bond@outcontent}% sauvegarder l'atome d'o\xF9 vient la liaison
- \let\CF at node@strut\empty
+ \CF_doifempty\CF_bondoutcontentsaved% sauf si un \chemskipalign a \xE9t\xE9 fait \xE0 l'atome pr\xE9c\xE9dent
+ {\global\let\CF_bondoutcontentsaved\CF_bondoutcontent}% sauvegarder l'atome d'o\xF9 vient la liaison
+ \let\CF_nodestrut\empty
}
-\def\CF at empty@node{{}}
+\def\CF_emptynode{{}}
-\def\definesubmol{\CF at definesubmoltrue\def at submol}
-\def\redefinesubmol{\CF at definesubmolfalse\def at submol}
+\def\definesubmol{\CF_definesubmoltrue\def_submol}
+\def\redefinesubmol{\CF_definesubmolfalse\def_submol}
-\def\def at submol#1{%
- \CF at cnt@atomingroup=0 % nombre d'arguments suppos\xE9
- \def\CF at tmp@str{#1}% nom
- \futurelet\CF at toks@a\CF at test@nxttok
+\def\def_submol#1{%
+ \CF_cntatomgroup=0 % nombre d'arguments suppos\xE9
+ \def\CF_temp{#1}% nom
+ \futurelet\CF_toksa\CF_submoltestnxttok
}
-\def\CF at test@nxttok{%
- \if[\noexpand\CF at toks@a\expandafter\CF at execfirst\else\expandafter\CF at execsecond\fi
- {\CF at exp@macroarg\CF at grab@optalias{\CF at tmp@str}}%
- {\afterassignment\CF at test@nxttok at a% pas d'argument entre crochet
- \CF at cnt@atomingroup=0% cherche le nombre d'arguments \xE9ventuel
+\def\CF_submoltestnxttok{%
+ \if[\noexpand\CF_toksa\expandafter\CF_execfirst\else\expandafter\CF_execsecond\fi
+ {\begingroup\CF_sanitizecatcode\CF_expsecond\CF_submolgrabopt{\CF_temp}%
+ }
+ {\afterassignment\CF_submoltestnxttoka% pas d'argument entre crochet
+ \CF_cntatomgroup=0% cherche le nombre d'arguments \xE9ventuels
}%
}
-\def\CF at test@nxttok at a{\futurelet\CF at toks@a\CF at test@nxttok at b}
+\def\CF_submoltestnxttoka{\futurelet\CF_toksa\CF_submoltestnxttokb}
-\def\CF at test@nxttok at b{%
- \if[\noexpand\CF at toks@a\expandafter\CF at execfirst\else\expandafter\CF at execsecond\fi
- {\CF at exp@macroarg\CF at grab@optalias{\CF at tmp@str}}
- {\CF at exp@second{\def at submol@a}\CF at tmp@str{}}%
+\def\CF_submoltestnxttokb{%
+ \if[\noexpand\CF_toksa\expandafter\CF_execfirst\else\expandafter\CF_execsecond\fi
+ {\begingroup\CF_sanitizecatcode\CF_expsecond\CF_submolgrabopt{\CF_temp}}
+ {\CF_expsecond{\def_submola}\CF_temp{}}%
}
-\def\CF at grab@optalias#1[#2]#{\def at submol@a{#1}{#2}}
+\def\CF_submolgrabopt#1[#2]#{\endgroup\def_submola{#1}{#2}}
-\def\CF at make@listofargs#1{%
- \toks\z@{}%
- \CF at cnt@groupnumber#1\relax
- \CF at make@listofargs at a1%
-}
-
-\def\CF at make@listofargs at a#1{%
- \unless\ifnum#1>\CF at cnt@groupnumber
- \toks\z@\expandafter{\the\toks\z@###1}%
- \expandafter\CF at make@listofargs at a\expandafter{\number\numexpr#1+1\expandafter}%
- \fi
-}
-
-\def\def at submol@a#1{% #1 nom
- \ifcat\relax\expandafter\noexpand\CF at firsttonil#1\@nil\expandafter\CF at execfirst\else\expandafter\CF at execsecond\fi% si #1 est une s\xE9quence de contr\xF4le
- {\expandafter\ifdefined\CF at firsttonil#1\@nil
- \ifCF at definesubmol
- \immediate\write-1{Package \CFname\space Warning: the submol \expandafter\string\CF at firsttonil#1\@nil\space is already defined, the previous definition is lost}%
+\def\def_submola#1{% #1 nom
+ \CF_ifnum{0\CF_ifnum{\CF_cntatomgroup<0 }1{\CF_ifnum{\CF_cntatomgroup>9 }10}>0 }
+ {\CF_error{Invalid number of arguments in submol \detokenize\expandafter{\string#1}. Defining it with 0 argument}%
+ \CF_cntatomgroup=0
+ }
+ {}%
+ \ifcat\relax\expandafter\noexpand\CF_firsttonil#1\_nil\expandafter\CF_execfirst\else\expandafter\CF_execsecond\fi% si #1 est une s\xE9quence de contr\xF4le
+ {\expandafter\ifdefined\CF_firsttonil#1\_nil
+ \ifCF_definesubmol
+ \CF_warning{the submol \expandafter\string\CF_firsttonil#1\_nil\space is already defined, the previous definition is lost}%
\fi
\fi
- \def at submol@b{#1}%
+ \begingroup
+ \CF_sanitizecatcode
+ \def_submolb{#1}%
}
- {\ifcsname CF@@#1\endcsname
- \ifCF at definesubmol
- \immediate\write-1{Package \CFname\space Warning:the submol "#1" is already defined, the previous definition is lost}%
+ {\ifcsname CF__#1\endcsname
+ \ifCF_definesubmol
+ \CF_warning{the submol "#1" is already defined, the previous definition is lost}%
\fi
\fi
- \expandafter\def at submol@b\csname CF@@#1\endcsname
+ \begingroup
+ \CF_sanitizecatcode
+ \expandafter\def_submolb\csname CF__#1\endcsname
}%
}
-\def\def at submol@b#1#2#3{% #1 nom sous forme de macro, #2 = code si liaison arrive de droite , #3 = code si liaison arrive de gauche, \CF at cnt@atomingroup = nombre d'arguments
- \CF at make@listofargs\CF at cnt@atomingroup
- \CF at ifempty{#2}%
- {\CF at exp@after{\expandafter\def\CF at firsttonil#1\@nil}{\the\toks\z@}{\empty#3}}
- {\CF at exp@after{\expandafter\def\CF at firsttonil#1\@nil}{\the\toks\z@}{%
- \romannumeral
- \ifdim\CF at current@angle pt>90pt
- \ifdim\CF at current@angle pt<270pt
- \expandafter\expandafter\expandafter\CF at execfirst
- \else
- \expandafter\expandafter\expandafter\CF at execsecond
- \fi
- \else
- \expandafter\CF at execsecond
- \fi
- {\z@#2}{\z@#3}}%
- }%
+\def\def_submolb#1#2#3{% #1 nom sous forme de macro, #2 = code si liaison arrive de droite , #3 = code si liaison arrive de gauche, \CF_cntatomgroup = nombre d'arguments
+ \def\CF_tempa{#2}\CF_doifnotempty{#2}{\CF_expsecond{\CF_expsecond\CF_substonly{\number\CF_cntatomgroup}\CF_tempa}{\CFhash}{\CFhash}}%
+ \def\CF_tempb{#3}\CF_expsecond{\CF_expsecond\CF_substonly{\number\CF_cntatomgroup}\CF_tempb}{\CFhash}{\CFhash}%
+ \CF_expsecond{\CF_expsecond{\def_submolc{#1}}\CF_tempa}\CF_tempb
}
-\def\CF at seek@node#1#2#3{% cherche un noeud au d\xE9but de #1 l'assigne dans la sc #2 et met le reste dans #3
+\def\def_submolc#1#2#3{% #1 nom sous forme de macro, #2 = code si liaison arrive de droite , #3 = code si liaison arrive de gauche, \CF_cntatomgroup = nombre d'arguments
+ \endgroup
+ \begingroup
+ \global\toks0{\gdef\CFthesubmol}%
+ \CF_ifnum{\CF_cntatomgroup>0 }
+ {\foreach\CF_x in {1,...,\CF_cntatomgroup}{%
+ \edef\CF_temp{\CFhash\CF_x}%
+ \global\toks0\expandafter\expandafter\expandafter{\expandafter\the\expandafter\toks\expandafter0\CF_temp}%
+ }%
+ }
+ {}%
+ \CF_sanitizecatcode \catcode`\#6 \endlinechar-1 \everyeof{\noexpand}%
+ \CF_ifempty{#2}%
+ {\scantokens\expandafter{\the\toks0{\empty#3}}%
+ }%
+ {\scantokens\expandafter{%
+ \the\toks0{%
+ \romannumeral
+ \csname CF_exec%
+ \ifdim\csname CF_currentangle\endcsname pt>90pt
+ \ifdim\csname CF_currentangle\endcsname pt<270pt
+ first%
+ \else
+ second%
+ \fi
+ \else
+ second%
+ \fi
+ \endcsname
+ {0 #2}{0 #3}%
+ }%
+ }%
+ }%
+ \endgroup
+ \let#1\CFthesubmol
+}
+
+\def\CF_seeknode#1#2#3{% cherche un noeud au d\xE9but de #1 l'assigne dans la sc #2 et met le reste dans #3
\let#2\empty
\def#3{#1}%
- \CF at if@firsttokmatch{#1}{ }%
- {\CF at exp@macroarg\CF at seek@node at a{\romannumeral-`\.\noexpand#1}#2#3}% ignore les espaces au d\xE9but du groupe d'atome
- {\CF at seek@node at a{#1}#2#3}%
+ \CF_iffirsttokmatch{#1}{ }%
+ {\CF_expsecond\CF_seeknodea{\romannumeral-`\.\noexpand#1}#2#3}% ignore les espaces au d\xE9but du groupe d'atome
+ {\CF_seeknodea{#1}#2#3}%
}
-\def\CF at seek@node at a#1#2#3{%
- \CF at ifempty{#1}%
- {\let#3\empty}
- {\futurelet\CF at toks@a\CF at gobtonil#1\relax\@nil
- \CF at ifx\CF at toks@a\@sptoken
- {\CF at add@tocs#2{ }%
- \CF at exp@macroarg\CF at seek@node at a{\CF at after@space#1\@nil}#2#3%
+\def\CF_seeknodea#1#2#3{%
+ \CF_ifempty{#1}%
+ {\let#3\empty
+ }
+ {\futurelet\CF_toksa\CF_gobtonil#1\relax\_nil
+ \CF_ifx\CF_toksa\CF_sptoken
+ {\CF_addtomacro#2{ }%
+ \CF_expsecond\CF_seeknodea{\CF_afterspace#1\_nil}#2#3%
}%
- {\CF at ifx\CF at toks@a\bgroup
- {\CF at eadd@tocs#2{\expandafter{\CF at firsttonil#1\@nil}}%
- \CF at exp@macroarg\CF at seek@node at a{\CF at gobarg#1}#2#3%
+ {\CF_ifx\CF_toksa\bgroup
+ {\CF_eaddtomacro#2{\expandafter{\CF_firsttonil#1\_nil}}%
+ \CF_expsecond\CF_seeknodea{\CF_gobarg#1}#2#3%
}%
- {\CF at if@firsttokin at a{-=(*<>!~}%
- {\def#3{#1}}%
- {\CF at eadd@tocs#2{\CF at firsttonil#1\@nil}%
- \CF at exp@macroarg\CF at seek@node at a{\CF at gobarg#1}#2#3%
+ {\CF_iffirsttokina{-=(*<>!~}%
+ {\def#3{#1}%
}%
+ {\CF_eaddtomacro#2{\CF_firsttonil#1\_nil}%
+ \CF_expsecond\CF_seeknodea{\CF_gobarg#1}#2#3%
+ }%
}%
}%
}%
@@ -461,822 +543,910 @@
% on sait que #1 commence par -,=,~,<,>. On analyse cette liaison
% #2 re\xE7oit le type de liaisons (1 pour -, 2 pour =, 3 pour ~)
-\def\CF at bond@findcode#1#2{%
- \futurelet\CF at toks@a\CF at gobtonil#1\@nil
+\def\CF_assignbondcode#1#2{%
+ \futurelet\CF_toksa\CF_gobtonil#1\_nil
\edef#2{%
- \ifx-\CF at toks@a1\else
- \ifx=\CF at toks@a2\else
- \ifx~\CF at toks@a3\else
- \ifx>\CF at toks@a4\else
- \ifx<\CF at toks@a5\else0% si 0 --> il y a une erreur non due \xE0 l'utilisateur
+ \ifx-\CF_toksa1\else
+ \ifx=\CF_toksa2\else
+ \ifx~\CF_toksa3\else
+ \ifx>\CF_toksa4\else
+ \ifx<\CF_toksa5\else0% si 0 --> il y a une erreur non due \xE0 l'utilisateur
\fi\fi\fi\fi\fi}%
- \ifnum#2>\thr@@% si c'est une liaison de Cram
- \CF at exp@after{\futurelet\CF at toks@a\CF at gobtonil}{\CF at gobarg#1\@nil}% chope le caract\xE8re suivant
- \CF at ifx:\CF at toks@a
- {\edef#2{\number\numexpr#2+2}}% si c 'est un ":", signe du pointill\xE9, ajoute 2
- {\CF at ifx|\CF at toks@a{\edef#2{\number\numexpr#2+4}}{}}% si c 'est un "|", signe du triangle \xE9vid\xE9, ajouter 4
+ \ifnum#2>3 % si c'est une liaison de Cram
+ \CF_expafter{\futurelet\CF_toksa\CF_gobtonil}{\CF_gobarg#1\_nil}% chope le caract\xE8re suivant
+ \CF_ifx:\CF_toksa
+ {\edef#2{\number\numexpr#2+2}% si c 'est un ":", signe du pointill\xE9, ajoute 2
+ }%
+ {\CF_ifx|\CF_toksa% si c 'est un "|", signe du triangle \xE9vid\xE9, ajouter 4
+ {\edef#2{\number\numexpr#2+4}}
+ {}%
+ }%
\fi
}
-\def\CF at analyse@bondoffset#1,#2\@nil{%
- \def\CF at start@offset{#1}\def\CF at end@offset{#2}%
+\def\CF_grabbondoffseta#1,#2\_nil{%
+ \def\CF_startoffset{#1}\def\CF_endoffset{#2}%
}
-\def\CF at grab@bondoffset#1(#2)#3\@nil{%
- \CF at doifnotempty{#2}%
- {\CF at if@instr{#2},%
- {\CF at analyse@bondoffset#2\@nil}%
- {\def\CF at start@offset{#2}}%
+\def\CF_grabbondoffset#1(#2)#3\_nil{%
+ \CF_doifnotempty{#2}%
+ {\CF_ifinstr{#2},%
+ {\CF_grabbondoffseta#2\_nil}%
+ {\def\CF_startoffset{#2}}%
}%
- \def\CF at remain@afterbond{#3}%
+ \def\CF_remainafterbond{#3}%
}
-\def\CF at analyse@bond#1#2{%
- \CF at bond@findcode{#1}#2%
- \CF at exp@second{\def\CF at remain@afterbond}{\CF at gobarg#1}%mange le premier signe de la liaison
- \let\CF at doublebond@type\z@
- \ifnum#2=\tw@% si c'est une double liaison, regarde s'il y a un + ou - derri\xE8re
- \CF at exp@after{\futurelet\CF at toks@a\CF at gobtonil}{\CF at gobarg#1\@nil}%
- \CF at ifx^\CF at toks@a
- {\let\CF at doublebond@type\@ne
- \CF at exp@second{\def\CF at remain@afterbond}{\CF at gobtwoargs#1}% mange le "^"
+\def\CF_analysebond#1#2{%
+ \CF_assignbondcode{#1}#2%
+ \CF_expsecond{\def\CF_remainafterbond}{\CF_gobarg#1}%mange le premier signe de la liaison
+ \let\CF_doublebondtype\CF_zero
+ \ifnum#2=2 % si c'est une double liaison, regarde s'il y a un + ou - derri\xE8re
+ \CF_expafter{\futurelet\CF_toksa\CF_gobtonil}{\CF_gobarg#1\_nil}%
+ \CF_ifx^\CF_toksa
+ {\def\CF_doublebondtype{1}%
+ \CF_expsecond{\def\CF_remainafterbond}{\CF_gobtwoargs#1}% mange le "^"
}
- {\ifx_\CF at toks@a
- \let\CF at doublebond@type\tw@
- \CF at exp@second{\def\CF at remain@afterbond}{\CF at gobtwoargs#1}% mange le "_"
+ {\expandafter\ifx\CF_underscore\CF_toksa
+ \def\CF_doublebondtype{2}%
+ \CF_expsecond{\def\CF_remainafterbond}{\CF_gobtwoargs#1}% mange le "_"
\fi
}%
\else
\ifnum#2>5 % si c'est une laision de Cram pointill\xE9e ou triangle \xE9vid\xE9
- \CF at exp@second{\def\CF at remain@afterbond}{\CF at gobtwoargs#1}% mange un caract\xE8re de plus
+ \CF_expsecond{\def\CF_remainafterbond}{\CF_gobtwoargs#1}% mange un caract\xE8re de plus
\fi
\fi
- \CF at exp@twomacroargs\CF at if@firsttokmatch\CF at remain@afterbond\CF at hash%
- {\expandafter\CF at grab@bondoffset\CF at remain@afterbond\@nil}%
+ \CF_expsecond\CF_iffirsttokmatch\CF_remainafterbond\CFhash
+ {\CF_eexpsecond\CF_iffirsttokmatch{\expandafter\CF_gobarg\CF_remainafterbond.}(%si parenth\xE8se juste apr\xE8s
+ {\expandafter\CF_grabbondoffset\CF_remainafterbond\_nil}
+ {}%
+ }%
{}%
- \CF at exp@twomacroargs\CF at if@firsttokmatch\CF at remain@afterbond\CF at arobas
- {\expandafter\CF at grab@movearg\CF at remain@afterbond\@nil}%
+ \CF_expsecond\CF_iffirsttokmatch\CF_remainafterbond @%
+ {\expandafter\CF_grabmovearg\CF_remainafterbond\_nil}%
{}%
- \CF at exp@macroarg\CF at if@firsttokmatch{\CF at remain@afterbond}[%
- {\expandafter\CF at analyse@optarg\CF at remain@afterbond\@nil\CF at remain@afterbond}%
- {\let\CF at current@stringangle\default at stringangle
- \let\CF at current@length\default at length
- \let\CF at current@fromatom\default at fromatom
- \let\CF at current@toatom\default at toatom
- \let\CF at current@tikz\default at tikz
- \let\CF at movebond@name\empty
+ \CF_expsecond\CF_iffirsttokmatch{\CF_remainafterbond}[%
+ {\expandafter\CF_analyseoptarg\CF_remainafterbond\_nil\CF_remainafterbond
}%
- \ifCF at incycle
- \pgfmathsetmacro\CF at cycle@increment at angle{360/\CF at cycle@num+\CF at initcycle@angle}%
- \edef\CF at current@stringangle{::+\CF at cycle@increment at angle}%
- \def\CF at initcycle@angle{0}%
- \let\CF at current@length\default at length% et on ignore la longueur de liaison sp\xE9cifi\xE9e
+ {\let\CF_currentstringangle\CF_defaultstringangle
+ \let\CF_currentlength\CF_defaultlength
+ \let\CF_currentfromatom\CF_defaultfromatom
+ \let\CF_currenttoatom\CF_defaulttoatom
+ \let\CF_currenttikz\CF_defaulttikz
+ \let\CF_movebondname\empty
+ }%
+ \ifCF_incycle
+ \pgfmathsetmacro\CF_cycleincrementangle{360/\CF_cyclenum+\CF_initcycleangle}%
+ \edef\CF_currentstringangle{::+\CF_cycleincrementangle}%
+ \def\CF_initcycleangle{0}%
+ \let\CF_currentlength\CF_defaultlength% et on ignore la longueur de liaison sp\xE9cifi\xE9e
\fi
- \CF at exp@macroarg\CF at set@bondangle{\CF at current@stringangle}\CF at current@angle
+ \CF_expsecond\CF_setbondangle{\CF_currentstringangle}\CF_currentangle
}
-\def\CF at set@bondangle#1#2{% le code de la direction est contenu dans #1, en sortie, #2 contient l'angle
- \CF at ifempty{#1}%
- {\let#2\default at angle}
- {\if:\expandafter\noexpand\CF at firsttonil#1\@nil
- \if:\CF at three@ea\noexpand\expandafter\CF at firsttonil\CF at gobarg#1\@nil
- \pgfmathsetmacro#2{\CF at previous@angle+\expandafter\CF at gobarg\CF at gobarg#1}%
+\def\CF_setbondangle#1#2{% le code de la direction est contenu dans #1, en sortie, #2 contient l'angle
+ \CF_ifempty{#1}%
+ {\let#2\CF_defaultangle
+ }
+ {\if:\expandafter\noexpand\CF_firsttonil#1\_nil
+ \if:\CF_threeea\noexpand\expandafter\CF_firsttonil\CF_gobarg#1\_nil
+ \pgfmathsetmacro#2{\CF_previousangle+\expandafter\CF_gobarg\CF_gobarg#1}%
\else
- \pgfmathsetmacro#2{\CF at gobarg#1}%
+ \pgfmathsetmacro#2{\CF_gobarg#1}%
\fi
\else
- \pgfmathsetmacro#2{#1*\CF at angle@increment}%
+ \pgfmathsetmacro#2{#1*\CF_angleincrement}%
\fi% puis normalise l'angle entre 0 et 360
- \ifdim\ifdim#2pt<\z at -\fi#2pt>360pt \pgfmathsetmacro#2{#2-360*floor(#2/360)}\fi% si |#2|>360
- \ifdim#2pt<\z@\pgfmathsetmacro#2{#2+360}\fi
+ \ifdim\ifdim#2pt<0pt -\fi#2pt>360pt
+ \pgfmathsetmacro#2{#2-360*floor(#2/360)}%
+ \fi% si |#2|>360
+ \ifdim#2pt<0pt
+ \pgfmathsetmacro#2{#2+360}%
+ \fi
}%
}
-\def\CF at int@part#1.#2\@nil{#1 }
+\def\CF_analysemovearg#1,#2\_nil#3{%
+ \def#3{#1}\def\CF_movebondcoeff{#2}%
+}
-\def\CF at analyse@movearg#1,#2\@nil#3{%
- \def#3{#1}\def\CF at movebond@coeff{#2}%
+% Argument limit\xE9s l\xE9gitimes ici car #2 (qui est ce qui suit "@{<nom>}" dans l'argument optionnel) ne DOIT PAS
+% commencer par une accolade.
+\def\CF_grabmovearg @#1#2\_nil{%
+ \CF_ifinstr{#1},%
+ {\CF_analysemovearg#1\_nil\CF_movebondname}%
+ {\def\CF_movebondname{#1}\def\CF_movebondcoeff{0.5}}%
+ \def\CF_remainoptarg{#2}%
}
-% Argument limit\xE9s l\xE9gitimes ici car #2 (qui est ce qui suit "@{<nom>}" dans l'argument optionnel) ne DOIT
-% pas commencer par une accolade.
-\expandafter\def\expandafter\CF at grab@movearg\CF at arobas#1#2\@nil{%
- \CF at if@instr{#1},%
- {\CF at analyse@movearg#1\@nil\CF at movebond@name}%
- {\def\CF at movebond@name{#1}\def\CF at movebond@coeff{0.5}}%
- \def\CF at remain@optarg{#2}%
+\def\CF_testemptyandassign#1#2#3{%
+ \CF_ifempty{#2}
+ {\let#1#3}
+ {\def#1{#2}}%
}
-\def\CF at testempty@andassign#1#2#3{\CF at ifempty{#2}{\let#1#3}{\def#1{#2}}}
-
-\def\CF at parse@optlist#1,#2,#3,#4,#5\@nil{%
- \CF at testempty@andassign\CF at current@stringangle{#1}\default at stringangle
- \CF at testempty@andassign\CF at current@length{#2}\default at length
- \CF at testempty@andassign\CF at current@fromatom{#3}\default at fromatom
- \CF at testempty@andassign\CF at current@toatom{#4}\default at toatom
- \expandafter\CF at testempty@andassign\expandafter\CF at current@tikz\expandafter{\CF at sanitize@lastitem#5,\empty\@nil}\default at tikz
+\def\CF_parseoptlist#1,#2,#3,#4,#5\_nil{%
+ \CF_testemptyandassign\CF_currentstringangle{#1}\CF_defaultstringangle
+ \CF_testemptyandassign\CF_currentlength {#2}\CF_defaultlength
+ \CF_testemptyandassign\CF_currentfromatom {#3}\CF_defaultfromatom
+ \CF_testemptyandassign\CF_currenttoatom {#4}\CF_defaulttoatom
+ \CF_expsecond{\CF_testemptyandassign\CF_currenttikz}{\CF_sanitizelastitem#5,\empty\_nil}\CF_defaulttikz
}%
-\def\CF at analyse@optarg[#1]#2\@nil#3{%
- \CF at doifnotempty{#1}%
- {\CF at exp@after{\CF at if@firsttokmatch{#1}}{\CF at arobas}%
- {\CF at grab@movearg#1\@nil}%
- {\let\CF at movebond@name\empty
- \def\CF at remain@optarg{#1}%
+\def\CF_analyseoptarg[#1]{%
+ \CF_doifnotempty{#1}%
+ {\CF_iffirsttokmatch{#1}{@}%
+ {\CF_grabmovearg#1\_nil
+ }
+ {\let\CF_movebondname\empty
+ \def\CF_remainoptarg{#1}%
}%
- \expandafter\CF at parse@optlist\CF at remain@optarg,\empty,\empty,\empty,\empty\@nil
- \def#3{#2}%
+ \expandafter\CF_parseoptlist\CF_remainoptarg,\empty,\empty,\empty,\empty\_nil
}%
+ \CF_analyseoptarga\relax
}
-\def\CF at seek@submol{%
- \CF at exp@second{\def\CF at remain@molecule}{\romannumeral-`\.\expandafter\noexpand\CF at remain@molecule}%
- \CF at exp@macroarg\CF at if@firsttokmatch{\CF at remain@molecule}!%
- {\CF at eexp@second{\def\CF at remain@molecule}{\expandafter\CF at gobarg\CF at remain@molecule}% enl\xE8ve le "!"
- \CF at ifx\empty\CF at remain@molecule{\errmessage{Package \CFname\space Error: no submol name found after "!"}}{}%
- \ifcat\relax\CF at three@ea\noexpand\expandafter\CF at firsttonil\CF at remain@molecule*\@nil
- \CF at eexp@second{\CF at exp@second{\def\CF at remain@molecule}}{\CF at remain@molecule}%
+\def\CF_analyseoptarga#1\_nil#2{%
+ \CF_expsecond{\def#2}{\CF_gobarg#1}%
+}
+
+\def\CF_seeksubmol{%
+ \CF_expsecond{\def\CF_molecule}{\romannumeral-`\.\expandafter\noexpand\CF_molecule}%
+ \CF_expsecond\CF_iffirsttokmatch{\CF_molecule}!%
+ {\CF_eexpsecond{\def\CF_molecule}{\expandafter\CF_gobarg\CF_molecule}% enl\xE8ve le "!"
+ \CF_ifx\empty\CF_molecule
+ {\CF_error{no submol name found after "!"}}
+ {}%
+ \ifcat\relax\CF_threeea\noexpand\expandafter\CF_firsttonil\CF_molecule*\_nil
+ \expandafter\CF_seeksubmola\CF_molecule\_nil
\else
- \expandafter\CF at seek@submol at a\CF at remain@molecule\@nil
+ \expandafter\CF_seeksubmolb\CF_molecule\_nil
\fi
- \CF at seek@submol
+ \CF_seeksubmol
}%
{}%
}
-\def\CF at seek@submol at a#1#2\@nil{% #1=nom
- \CF at eexp@second{\CF at exp@second{\def\CF at remain@molecule}}{\csname CF@@#1\endcsname#2}%
-}
+\def\CF_seeksubmola#1{\CF_seeksubmolc#1\relax}
-\def\CF at insert@emptygroup#1{% ins\xE8re {} au d\xE9but de la sc #1
- \CF at exp@second{\def#1}{\expandafter{\expandafter}#1}%
+\def\CF_seeksubmolb#1{\expandafter\CF_seeksubmolc\csname CF__#1\endcsname\relax}% nom de la sous mol\xE9cule
+
+\def\CF_seeksubmolc#1#2\_nil{%#1=macro de la sous mol\xE9cule #2=reste du code commen\xE7ant par \relax
+ \CF_expsecond{\CF_eexpsecond{\def\CF_molecule}}{\expandafter#1\CF_gobarg#2}% supprime le \relax puis ajoute la macro au d\xE9but et la 2-d\xE9veloppe
}
-\def\chemfig{%
- \CF at ifstar
- {\CF at warning{Do not use star \string\chemfig\space but set the key "fixed lengths"}%
- \CF at macrofixedbondlengthtrue\CF at chemfig@a
- }
- {\ifboolKV[chemfig]{fixed length}
- \CF at macrofixedbondlengthtrue
- \CF at macrofixedbondlengthfalse
- \CF at chemfig@a}%
+\def\CF_insertemptygroup#1{% ins\xE8re {} au d\xE9but de la sc #1
+ \CF_expsecond{\def#1}{\expandafter{\expandafter}#1}%
}
-\def\CF at chemfig@a{\CF at testopt\CF at chemfig@b{}}
+\def\chemfig{\CF_testopt\CF_chemfiga{}}
-\def\CF at chemfig@b[#1]{\CF at testopt{\CF at chemfig@c[#1]}{}}
-
-\def\CF at chemfig@c[#1][#2]{%
- \if\relax\detokenize{#1#2}\relax\else
- \CF at warning{Do not use optional arguments but set the keys "tikz node style" and "tikz code"}%
- \fi
- \edef\CF at tmp@str{[remember picture,every node/.style={anchor=base,inner sep=\z@,outer sep=\z@,minimum size=\z@,\ifx\empty#2\empty\useKV[chemfig]{atom style}\else#2\fi},baseline,\ifx\empty#1\empty\useKV[chemfig]{chemfig style}\else#1\fi]}%
- \CF at exp@threemacroargs\CF at chemfig@d\CF at begin@tikzpicture\CF at tmp@str\CF at end@tikzpicture
+\def\CF_chemfiga[#1]{%
+ \begingroup
+ \edef\CF_temp{%
+ \unexpanded\expandafter{\CF_begintikzpicture}%
+ [remember picture,%
+ every node/.style={%
+ anchor=base,%
+ inner sep=0pt,%
+ outer sep=0pt,%
+ minimum size=0pt,%
+ \unexpanded\CF_threeea{\useKV[chemfig]{atom style}}%
+ },%
+ baseline,%
+ \unexpanded\CF_threeea{\useKV[chemfig]{chemfig style}}%
+ ]%
+ }%
+ \CF_sanitizecatcode
+ \CF_exptwomacroargs\CF_chemfigb\CF_begintikzpicture\CF_endtikzpicture[#1]%
}
-\def\CF at chemfig@d#1#2#3#4{%
- #1#2%
+\def\CF_chemfigb#1#2[#3]#4{%
+ \endgroup
\begingroup
- \let\CF at hook@list\empty
- \ifboolKV[chemfig]{bond join}
- {\let\CF at draw@axisbond\CF at draw@axisbond at join}
- {\let\CF at draw@axisbond\CF at draw@axisbond at nojoin}%
- \ifboolKV[chemfig]{cram rectangle}
- {\let\CF at clipcramornot\CF at gobtikzinstruction}
- {\let\CF at clipcramornot\clip}%
- \CF at valuetomacro\CF at cram@basewidth[1.5ex]{cram width}%
- \CF at valuetomacro\CF at cram@dashlength[1pt]{cram dash width}%
- \CF at valuetomacro\CF at cram@dashsep[2pt]{cram dash sep}%
- \CF at valuetomacro\CF at atom@sep[3em]{atom sep}% espacement des atomes li\xE9s
- \CF at valuetomacro\CF at bond@offset[2pt]{bond offset}%
- \CF at valuetomacro\CF at double@sep[2pt]{double bond sep}%
- \CF at valuetomacro\CF at angle@increment[45]{angle increment}%
- \CF at valuetomacro\CF at node@style[]{node style}%
- \CF at valuetomacro\CF at bond@style[]{bond style}%
- \CF at valuetomacro\CF at stacksep[1.5pt]{stack sep}%
- \CF at valuetomacro\CF at cycle@inraduiscoeff[0.75]{cycle radius coeff}% coeff multiplicateur du rayon des arcs dans les cycles
- \CF at incyclefalse
- \CF at cnt@groupnumber\z@
- \let\CF at last@action\z@% 0=d\xE9but du dessin 1=trac\xE9 d'un noeud 2=trac\xE9 d'une liaison
- \let\CF at start@offset\empty
- \let\CF at end@offset\empty
- \let\CF at bond@outcontentsaved\empty
- \def\CF at cycle@anglecorrection{180/\CF at cycle@num}%
- \def\default at angle{0}%
- \def\default at stringangle{:0}% angle pris par d\xE9faut si le champ est vide
- \def\default at length{1}%
- \let\default at fromatom\empty% numero de l'atome d'o\xF9 partent les liaisons par d\xE9faut
- \let\default at toatom\empty% num\xE9ro de l'atome o\xF9 arrivent les laisons par d\xE9faut
- \let\default at tikz\empty
- \let\CF at previous@bondangle\empty
- \let\CF at joinbond\z@
- \let\CF at previous@tikz\empty
- \everyeof{\@nil}\endlinechar-1
- \CF at sanitize@catcode
- \expandafter\assign at tonil\expandafter\CF at remain@molecule\scantokens{#4}%
- \CF at exp@macroarg\CF at chemfig@e{\CF at remain@molecule}%
- #3%
- \let\CF at split@state\z@
+ \setchemfig{#3}%
+ \edef\CF_temp{%
+ \unexpanded{#1}[%
+ remember picture,%
+ every node/.style={%
+ anchor=base,%
+ inner sep=0pt,%
+ outer sep=0pt,%
+ minimum size=0pt,%
+ \unexpanded\CF_threeea{\useKV[chemfig]{atom style}}%
+ },%
+ baseline,%
+ \unexpanded\CF_threeea{\useKV[chemfig]{chemfig style}}%
+ ]%
+ }%
+ \CF_temp% d\xE9but du tikzpicture
+ \begingroup% \endgroup rajout\xE9 en sortie de trac\xE9 par \CF_chemfigd
+ \let\CF_hooklist\empty
+ \CF_expsecond\setchemfig{#3}%
+ \ifboolKV[chemfig]{fixed length}
+ {\CF_macrofixedbondlengthtrue}
+ {\CF_macrofixedbondlengthfalse}%
+ \ifboolKV[chemfig]{bond join}
+ {\let\CF_drawaxisbond\CF_drawaxisbondjoin}
+ {\let\CF_drawaxisbond\CF_drawaxisbondnojoin}%
+ \ifboolKV[chemfig]{cram rectangle}
+ {\let\CF_clipcramornot\CF_gobtikzinstruction}
+ {\let\CF_clipcramornot\clip}%
+ \CF_valuetomacro\CF_crambasewidth [1.5ex]{cram width}%
+ \CF_valuetomacro\CF_cramdashlength [1pt]{cram dash width}%
+ \CF_valuetomacro\CF_cramdashsep [2pt]{cram dash sep}%
+ \CF_valuetomacro\CF_atomsep [3em]{atom sep}% espacement des atomes li\xE9s
+ \CF_valuetomacro\CF_bondoffset [2pt]{bond offset}%
+ \CF_valuetomacro\CF_doublesep [2pt]{double bond sep}%
+ \CF_valuetomacro\CF_angleincrement [45]{angle increment}%
+ \CF_valuetomacro\CF_nodestyle []{node style}%
+ \CF_valuetomacro\CF_bondstyle []{bond style}%
+ \CF_valuetomacro\CF_stacksep [1.5pt]{stack sep}%
+ \CF_valuetomacro\CF_cycleradiuscoeff[0.75]{cycle radius coeff}% coeff multiplicateur du rayon des arcs dans les cycles
+ \CF_incyclefalse
+ \CF_cntgroup0
+ \let\CF_lastaction\CF_zero% 0=d\xE9but du dessin 1=trac\xE9 d'un noeud 2=trac\xE9 d'une liaison
+ \let\CF_startoffset\empty
+ \let\CF_endoffset\empty
+ \let\CF_bondoutcontentsaved\empty
+ \def\CF_cycleanglecorrection{180/\CF_cyclenum}%
+ \def\CF_defaultangle{0}%
+ \def\CF_defaultstringangle{:0}% angle pris par d\xE9faut si le champ est vide
+ \def\CF_defaultlength{1}%
+ \let\CF_defaultfromatom\empty% numero de l'atome d'o\xF9 partent les liaisons par d\xE9faut
+ \let\CF_defaulttoatom\empty% num\xE9ro de l'atome o\xF9 arrivent les laisons par d\xE9faut
+ \let\CF_defaulttikz\empty
+ \let\CF_previousbondangle\empty
+ \let\CF_joinbond\CF_zero
+ \let\CF_previoustikz\empty
+ \everyeof{\_nil}\endlinechar-1
+ \CF_sanitizecatcode
+ \expandafter\CF_assigntonil\expandafter\CF_molecule\scantokens{#4}%
+ \CF_expsecond{\CF_substall\CF_molecule}\CFhash\CFhash
+ \CF_expsecond\CF_chemfigc{\CF_molecule}%
+ %\endgroup <-- rajout\xE9 par \CF_chemfigd
+ #2% fin du tikzpicture
+ \endgroup
+ \let\CF_flipstate\CF_zero
}
-\def\CF at chemfig@e#1{% #1 est le code de la mol\xE9cule
- \ifnum\CF at last@action=\thr@@
- \ifCF at incycle
- \def\default at angle{0}%
+\def\CF_chemfigc#1{% #1 est le code de la mol\xE9cule
+ \ifnum\CF_lastaction=3
+ \ifCF_incycle
+ \def\CF_defaultangle{0}%
\else
- \ifnum\CF at cnt@cycle=\z@% si c'est le d\xE9but d'un cycle
- \pgfmathsetmacro\default at angle{\CF at previous@angle+180+\CF at cycle@anglecorrection}% on met la liaison \xE0 +180\xB0 + correction
+ \ifnum\CF_cntcycle=0 % si c'est le d\xE9but d'un cycle
+ \pgfmathsetmacro\CF_defaultangle{\CF_previousangle+180+\CF_cycleanglecorrection}% on met la liaison \xE0 +180\xB0 + correction
\else
- \pgfmathsetmacro\default at angle{\CF at previous@angle-90+180/\CF at cycle@num}% sinon \xE0 la bissectrice du sommet du cycle
+ \pgfmathsetmacro\CF_defaultangle{\CF_previousangle-90+180/\CF_cyclenum}% sinon \xE0 la bissectrice du sommet du cycle
\fi
\fi
- \let\default at stringangle\empty
+ \let\CF_defaultstringangle\empty
\fi
- \let\CF at current@angle\default at angle
- \def\CF at remain@molecule{#1}%
- \CF at seek@submol% alias en premier ?
- \if[\CF at three@ea\noexpand\expandafter\CF at firsttonil\CF at remain@molecule\@nil
- \expandafter\CF at analyse@optarg\CF at remain@molecule\@nil\CF at remain@molecule
- \CF at exp@macroarg\CF at set@bondangle{\CF at current@stringangle}\CF at current@angle
- \let\default at angle\CF at current@angle
- \let\CF at previous@angle\CF at current@angle
- \CF at doifnotempty\CF at current@stringangle{\let\default at angle\CF at current@angle}%
- \CF at doifnotempty\CF at current@length{\let\default at length\CF at current@length}%
- \CF at doifnotempty\CF at current@fromatom{\let\default at fromatom\CF at current@fromatom}%
- \CF at doifnotempty\CF at current@toatom{\let\default at toatom\CF at current@toatom}%
- \CF at doifnotempty\CF at current@tikz{\let\default at tikz\CF at current@tikz}%
- \CF at seek@submol
+ \let\CF_currentangle\CF_defaultangle
+ \def\CF_molecule{#1}%
+ \CF_seeksubmol% alias en premier ?
+ \if[\CF_threeea\noexpand\expandafter\CF_firsttonil\CF_molecule\_nil
+ \expandafter\CF_analyseoptarg\CF_molecule\_nil\CF_molecule
+ \CF_expsecond\CF_setbondangle{\CF_currentstringangle}\CF_currentangle
+ \let\CF_defaultangle\CF_currentangle
+ \let\CF_previousangle\CF_currentangle
+ \CF_doifnotempty\CF_currentstringangle{\let\CF_defaultangle\CF_currentangle}%
+ \CF_doifnotempty\CF_currentlength {\let\CF_defaultlength\CF_currentlength}%
+ \CF_doifnotempty\CF_currentfromatom {\let\CF_defaultfromatom\CF_currentfromatom}%
+ \CF_doifnotempty\CF_currenttoatom {\let\CF_defaulttoatom\CF_currenttoatom}%
+ \CF_doifnotempty\CF_currenttikz {\let\CF_defaulttikz\CF_currenttikz}%
+ \CF_seeksubmol
\fi
- \edef\default at stringangle{:\default at angle}%
- \let\CF at current@length\default at length
- \let\CF at current@fromatom\default at fromatom
- \let\CF at current@toatom\default at toatom
- \let\CF at current@tikz\default at tikz
- \ifCF at incycle% si on commence un cycle
- \let\CF at current@angle\CF at previous@angle
- \ifCF at cyclearc% on doit tracer l'arc de cercle dans le cycle ?
- \pgfmathsetmacro\CF at cyclearc@radius{\CF at cycle@inraduiscoeff*\CF at current@length*\CF at atom@sep/(2*tan(180/\CF at cycle@num))}%
- \pgfmathsetmacro\CF at cyclearc@initangle{\CF at current@angle+\CF at initcycle@angle+180/\CF at cycle@num+90}
- \pgfmathparse{\CF at current@length*\CF at atom@sep/(2*sin(180/\CF at cycle@num))}%
- \node[at=(\CF at bond@outnode),shift=(\CF at cyclearc@initangle:\pgfmathresult pt)](arccenter){};% le centre de l'arc
- \node[at=(arccenter),shift=(\CF at cyclearc@startangle:\CF at cyclearc@radius pt)](initarc){};% le d\xE9but de l'arc
- \expandafter\draw\expandafter[\CF at cyclearc@directtikz](initarc) arc (\CF at cyclearc@startangle:\CF at cyclearc@endangle:\CF at cyclearc@radius pt);
+ \edef\CF_defaultstringangle{:\CF_defaultangle}%
+ \let\CF_currentlength\CF_defaultlength
+ \let\CF_currentfromatom\CF_defaultfromatom
+ \let\CF_currenttoatom\CF_defaulttoatom
+ \let\CF_currenttikz\CF_defaulttikz
+ \ifCF_incycle% si on commence un cycle
+ \let\CF_currentangle\CF_previousangle
+ \ifCF_cyclearc% on doit tracer l'arc de cercle dans le cycle ?
+ \pgfmathsetmacro\CF_cyclearcradius{\CF_cycleradiuscoeff*\CF_currentlength*\CF_atomsep/(2*tan(180/\CF_cyclenum))}%
+ \pgfmathsetmacro\CF_cyclearcinitangle{\CF_currentangle+\CF_initcycleangle+180/\CF_cyclenum+90}
+ \pgfmathparse{\CF_currentlength*\CF_atomsep/(2*sin(180/\CF_cyclenum))}%
+ \node[at=(\CF_bondoutnode),shift=(\CF_cyclearcinitangle:\pgfmathresult pt)](arccenter){};% le centre de l'arc
+ \node[at=(arccenter),shift=(\CF_cyclearcstartangle:\CF_cyclearcradius pt)](initarc){};% le d\xE9but de l'arc
+ \CF_expafter{\draw[}\CF_cyclearcdirecttikz](initarc) arc (\CF_cyclearcstartangle:\CF_cyclearcendangle:\CF_cyclearcradius pt);
\fi
\else
- \let\CF at current@angle\default at angle
+ \let\CF_currentangle\CF_defaultangle
\fi
- \ifnum\CF at last@action=\z@
- \let\CF at previous@angle\default at angle
- \node(CF at node){};
- \CF at exp@macroarg\CF at if@firsttokin{\CF at remain@molecule}{-=(*~?<>}%
- {\CF at insert@emptygroup\CF at remain@molecule}%
+ \ifnum\CF_lastaction=0
+ \let\CF_previousangle\CF_defaultangle
+ \node(CF_node){};
+ \CF_expsecond\CF_iffirsttokin{\CF_molecule}{-=(*~?<>}%
+ {\CF_insertemptygroup\CF_molecule}%
{}%
\fi
- \CF at chemfig@f
+ \CF_chemfigd
}
-\def\CF at chemfig@f{%
- \let\CF at next@action\CF at chemfig@f% \xE0 priori, on reboucle
- \CF at ifx\CF at remain@molecule\empty
- {\let\CF at next@action\endgroup}
- {\CF at seek@submol
- \CF at exp@macroarg\CF at seek@node{\CF at remain@molecule}\CF at current@atomgroup\CF at remain@molecule
- \CF at ifx\empty\CF at current@atomgroup% pas de noeud pour commencer ?
- {\def\CF at bond@outnode{%
- n\CF at last@groupnumber-%
- \ifx\CF at current@fromatom\empty
- \ifdim\CF at current@angle pt<90pt \number\CF at cnt@atomingroup
- \else\ifdim\CF at current@angle pt>270pt \number\CF at cnt@atomingroup\else1\fi
+\def\CF_chemfigd{%
+ \let\CF_nextaction\CF_chemfigd% \xE0 priori, on reboucle
+ \CF_ifx\CF_molecule\empty
+ {\let\CF_nextaction\endgroup
+ }
+ {\CF_seeksubmol
+ \CF_expsecond\CF_seeknode{\CF_molecule}\CF_currentatomgroup\CF_molecule
+ \CF_ifx\empty\CF_currentatomgroup% pas de noeud pour commencer ?
+ {\def\CF_bondoutnode{%
+ n\CF_lastgroupnumber-%
+ \ifx\CF_currentfromatom\empty
+ \ifdim\CF_currentangle pt<90pt
+ \number\CF_cntatomgroup
+ \else
+ \ifdim\CF_currentangle pt>270pt
+ \number\CF_cntatomgroup
+ \else
+ 1%
+ \fi
\fi
\else
- \CF at current@fromatom
+ \CF_currentfromatom
\fi}%
- \CF at exp@after{\futurelet\CF at toks@a\CF at gobtonil}{\CF at remain@molecule\relax\@nil}%
- \CF at if@firsttokin at a{-=<>~}% la suite est une liaison
- {\ifnum\CF at last@action=\tw@% c'est la deuxi\xE8me liaison cons\xE9cutive ?
- \CF at insert@emptygroup\CF at remain@molecule% ins\xE8re un groupe vide
- \edef\CF at bond@outnode{\CF at bond@outnode}%
+ \CF_expafter{\futurelet\CF_toksa\CF_gobtonil}{\CF_molecule\relax\_nil}%
+ \CF_iffirsttokina{-=<>~}% la suite est une liaison
+ {\ifnum\CF_lastaction=2 % c'est la deuxi\xE8me liaison cons\xE9cutive ?
+ \CF_insertemptygroup\CF_molecule% ins\xE8re un groupe vide
+ \edef\CF_bondoutnode{\CF_bondoutnode}%
\else
- \ifCF at incycle\advance\CF at cnt@cycle\@ne\fi
- \CF at exp@macroarg\CF at analyse@bond{\CF at remain@molecule}\CF at bond@type
- \edef\CF at bond@outnode{\CF at bond@outnode}%
- \let\CF at remain@molecule\CF at remain@afterbond
- \ifCF at incycle
- \ifnum\CF at cnt@cycle=\CF at cycle@num\relax
- \CF at three@ea\CF at execfirst
+ \ifCF_incycle
+ \advance\CF_cntcycle1
+ \fi
+ \CF_expsecond\CF_analysebond{\CF_molecule}\CF_bondtype
+ \edef\CF_bondoutnode{\CF_bondoutnode}%
+ \let\CF_molecule\CF_remainafterbond
+ \ifCF_incycle
+ \ifnum\CF_cntcycle=\CF_cyclenum\relax
+ \CF_threeea\CF_execfirst
\else
- \ifnum\CF at cnt@cycle=\@ne
- \let\CF at cycle@firsttikz\CF at current@tikz
- \CF at doifnotempty\CF at start@offset{\let\CF at cycle@joinlast\z@}%
+ \ifnum\CF_cntcycle=1
+ \let\CF_cyclefirsttikz\CF_currenttikz
+ \CF_doifnotempty\CF_startoffset{\let\CF_cyclejoinlast\CF_zero}%
\fi
- \CF at three@ea\CF at execsecond
+ \CF_threeea\CF_execsecond
\fi
\else
- \expandafter\CF at execsecond
+ \expandafter\CF_execsecond
\fi
- {\let\CF at next@action\endgroup
- \CF at draw@bond\CF at bond@type{\CF at bond@outnode}{\CF at hook@cycle}\CF at previous@atomgroup\CF at hook@atomgroup
+ {\let\CF_nextaction\endgroup
+ \CF_drawbond\CF_bondtype{\CF_bondoutnode}{\CF_hookcycle}\CF_previousatomgroup\CF_hookatomgroup
}%
- {\node[at=(\CF at bond@outnode\ifCF at incycle\else\ifCF at macrofixedbondlength.\CF at current@angle\fi\fi),shift=(\ifcase\CF at split@state\or180-\or-\fi\CF at current@angle:\CF at current@length*\CF at atom@sep)](CF at node){};
- \let\CF at previous@angle\CF at current@angle
- \let\CF at last@action\tw@
+ {\node[at=(\CF_bondoutnode\ifCF_incycle\else\ifCF_macrofixedbondlength.\CF_currentangle\fi\fi),shift=(\ifcase\CF_flipstate\or180-\or-\fi\CF_currentangle:\CF_currentlength*\CF_atomsep)](CF_node){};
+ \let\CF_previousangle\CF_currentangle
+ \def\CF_lastaction{2}%
}%
\fi
- \ifcat\relax\detokenize\expandafter{\romannumeral-`\.\expandafter\noexpand\CF at remain@molecule}\relax
+ \ifcat\relax\detokenize\expandafter{\romannumeral-`\.\expandafter\noexpand\CF_molecule}\relax
% s'il ne reste plus rien apr\xE8s la liaison (sans tenir compte de l'espace devant)-> ins\xE8re un groupe vide
- \CF at insert@emptygroup\CF at remain@molecule
+ \CF_insertemptygroup\CF_molecule
\fi
}%
- {\edef\CF at bond@outnode{\CF at bond@outnode}% \xE9value le l'atome de d\xE9part de liaison
- \CF at ifx(\CF at toks@a% une parenth\xE8se pour commencer ?
- {\ifnum\CF at last@action=\tw@% il y avait une liaison juste avant ?
- \CF at insert@emptygroup\CF at remain@molecule
+ {\edef\CF_bondoutnode{\CF_bondoutnode}% \xE9value le l'atome de d\xE9part de liaison
+ \CF_ifx(\CF_toksa% une parenth\xE8se pour commencer ?
+ {\ifnum\CF_lastaction=2 % il y avait une liaison juste avant ?
+ \CF_insertemptygroup\CF_molecule
\else
- \CF at exp@macroarg\CF at grab@submol{\CF at remain@molecule}%
+ \CF_expsecond\CF_grabsubmol{\CF_molecule}%
\begingroup
- \ifCF at incycle\let\CF at last@action\thr@@\fi% on \xE9tait dans un cycle
- \CF at incyclefalse
- \aftergroup\CF at chemfig@f
- \def\CF at next@action{\CF at exp@macroarg\CF at chemfig@e{\CF at sub@mol}}%
+ \ifCF_incycle\def\CF_lastaction{3}\fi% on \xE9tait dans un cycle
+ \CF_incyclefalse
+ \aftergroup\CF_chemfigd
+ \def\CF_nextaction{\CF_expsecond\CF_chemfigc{\CF_molinparen}}%
\fi
}%
- {\CF at ifx\CF at remain@molecule\empty
- {\let\CF at next@action\endgroup}
+ {\CF_ifx\CF_molecule\empty
+ {\let\CF_nextaction\endgroup
+ }
{% ce qui reste apr\xE8s le noeud courant n'est pas vide, ne commence pas par "-=~", ni par une parenth\xE8se
- \CF at ifx*\CF at toks@a% un cycle ?
- {\ifnum\CF at last@action=\tw@
- \CF at insert@emptygroup\CF at remain@molecule% ins\xE8re un groupe vide
+ \CF_ifx*\CF_toksa% un cycle ?
+ {\ifnum\CF_lastaction=2
+ \CF_insertemptygroup\CF_molecule% ins\xE8re un groupe vide
\else
- \ifCF at incycle\let\CF at last@action\thr@@\fi% on \xE9tait dans un cycle
- \ifnum\CF at last@action=\thr@@\let\CF at lastcycle@num\CF at cycle@num\fi
- \CF at eexp@macroarg\CF at if@firsttokmatch{\expandafter\CF at gobarg\CF at remain@molecule}*%
- {\CF at eexp@second{\def\CF at remain@molecule}{\expandafter\CF at gobarg\CF at remain@molecule}% enl\xE8ve la 1er \xE9toile
- \CF at eexp@macroarg\CF at if@firsttokmatch{\expandafter\CF at gobarg\CF at remain@molecule}[% un crochet ensuite ?
- {\expandafter\CF at cycle@parsepreamblewithoptarg\CF at remain@molecule\@nil% \begingroup inclus
+ \ifCF_incycle
+ \def\CF_lastaction{3}%
+ \fi% on \xE9tait dans un cycle
+ \ifnum\CF_lastaction=3
+ \let\CF_lastcyclenum\CF_cyclenum
+ \fi
+ \CF_eexpsecond\CF_iffirsttokmatch{\expandafter\CF_gobarg\CF_molecule}*%
+ {\CF_eexpsecond{\def\CF_molecule}{\expandafter\CF_gobarg\CF_molecule}% enl\xE8ve la 1er \xE9toile
+ \CF_eexpsecond\CF_iffirsttokmatch{\expandafter\CF_gobarg\CF_molecule}[% un crochet ensuite ?
+ {\expandafter\CF_cycleparsepreamblewithoptarg\CF_molecule\_nil% \begingroup inclus
}%
- {\def\CF at cyclearc@startangle{0}\def\CF at cyclearc@endangle{360}%
- \let\CF at cyclearc@directtikz\empty
- \expandafter\CF at cycle@parsepreamble\CF at remain@molecule\@nil% \begingroup inclus
+ {\def\CF_cyclearcstartangle{0}\def\CF_cyclearcendangle{360}%
+ \let\CF_cyclearcdirecttikz\empty
+ \expandafter\CF_cycleparsepreamble\CF_molecule\_nil% \begingroup inclus
}%
- \CF at cyclearctrue
+ \CF_cyclearctrue
}%
- {\expandafter\CF at cycle@parsepreamble\CF at remain@molecule\@nil% \begingroup inclus
- \CF at cyclearcfalse
+ {\expandafter\CF_cycleparsepreamble\CF_molecule\_nil% \begingroup inclus
+ \CF_cyclearcfalse
}%
- \CF at cnt@cycle\z@
- \edef\CF at hook@cycle{\CF at bond@outnode}%
- \let\CF at hook@atomgroup\CF at previous@atomgroup
- \CF at ifx\CF at hook@atomgroup\CF at empty@node
- {\let\CF at cycle@joinlast\@ne}% joindre le dernier
- {\let\CF at cycle@joinlast\z@}
- \CF at incycletrue
- \ifnum\CF at last@action=\thr@@
- \pgfmathsetmacro\CF at initcycle@angle{360/\CF at lastcycle@num-180}% c'est un cycle dans un cycle
+ \CF_cntcycle0
+ \edef\CF_hookcycle{\CF_bondoutnode}%
+ \let\CF_hookatomgroup\CF_previousatomgroup
+ \CF_ifx\CF_hookatomgroup\CF_emptynode
+ {\def\CF_cyclejoinlast{1}}% joindre le dernier
+ {\def\CF_cyclejoinlast{0}}
+ \CF_incycletrue
+ \ifnum\CF_lastaction=3
+ \pgfmathsetmacro\CF_initcycleangle{360/\CF_lastcyclenum-180}% c'est un cycle dans un cycle
\else
- \pgfmathsetmacro\CF at initcycle@angle{-180/\CF at cycle@num-90+\CF at cycle@anglecorrection}%
+ \pgfmathsetmacro\CF_initcycleangle{-180/\CF_cyclenum-90+\CF_cycleanglecorrection}%
\fi
- \aftergroup\CF at chemfig@f
- \def\CF at next@action{\CF at exp@macroarg\CF at chemfig@e{\CF at sub@mol}}%
+ \aftergroup\CF_chemfigd
+ \def\CF_nextaction{\CF_expsecond\CF_chemfigc{\CF_molinparen}}%
\fi
}%
- {\errmessage{Package \CFname\space Error: something went wrong here: \detokenize\expandafter{\CF at remain@molecule}^^JIf you think it's a bug, please, send a Minimal Example to the author.}%
+ {\CF_error{something went wrong here: \detokenize\expandafter{\CF_molecule}^^JIf you think it's a bug, please, send a Minimal Example to the author}%
}%
}%
}%
}%
}%
- {\CF at exp@threemacroargs\CF at draw@atomgroup\CF at current@angle\CF at current@toatom\CF at current@atomgroup
+ {\CF_expthreemacroargs\CF_drawatomgroup\CF_currentangle\CF_currenttoatom\CF_currentatomgroup
}%
}%
- \CF at next@action
+ \CF_nextaction
}
-\def\CF at cycle@parsepreamble*#1#2\@nil{%
- \ifnum#1<\thr@@
- \errmessage{Package \CFname\space Error: A cycle must be at least a triangle.^^JThe number following "*" must be 3 or more}%
+\def\CF_cycleparsepreamble*#1#2\_nil{%
+ \ifnum#1<3
+ \CF_error{a cycle must be at least a triangle.^^JThe number following "*" must be 3 or more}%
\fi
- \def\CF at remain@molecule{#2}%
- \CF at exp@macroarg\CF at grab@submol{\CF at remain@molecule}%
+ \def\CF_molecule{#2}%
+ \CF_expsecond\CF_grabsubmol{\CF_molecule}%
\begingroup
- \def\CF at cycle@num{#1}%
+ \def\CF_cyclenum{#1}%
}
-\def\CF at cycle@parsepreamblewithoptarg*[#1]#2#3\@nil{%
- \CF at cycle@parseoptarg#1,\empty,\empty,\empty\@nil
- \CF at cycle@parsepreamble*#2#3\@nil
+\def\CF_cycleparsepreamblewithoptarg*[#1]#2#3\_nil{%
+ \CF_cycleparseoptarg#1,\empty,\empty,\empty\_nil
+ \CF_cycleparsepreamble*#2#3\_nil
}
-\def\CF at cycle@parseoptarg#1,#2,#3\@nil{%
- \CF at ifempty{#1}{\def\CF at cyclearc@startangle{0}}{\def\CF at cyclearc@startangle{#1}}%
- \CF at ifempty{#2}{\def\CF at cyclearc@endangle{360}}{\def\CF at cyclearc@endangle{#2}}%
- \CF at exp@second{\def\CF at cyclearc@directtikz}{\CF at sanitize@lastitem#3,\empty\@nil}%
+\def\CF_cycleparseoptarg#1,#2,#3\_nil{%
+ \CF_ifempty{#1}
+ {\def\CF_cyclearcstartangle{0}}
+ {\def\CF_cyclearcstartangle{#1}}%
+ \CF_ifempty{#2}
+ {\def\CF_cyclearcendangle{360}}
+ {\def\CF_cyclearcendangle{#2}}%
+ \CF_expsecond{\def\CF_cyclearcdirecttikz}{\CF_sanitizelastitem#3,\empty\_nil}%
}
-\def\CF at grab@submol#1{%
+\def\CF_grabsubmol#1{%
\begingroup
- \catcode`(\@ne\catcode`)\tw@
- \CF at three@ea
+ \catcode`(1 \catcode`)2
+ \CF_threeea
\endgroup
- \expandafter\CF at grab@submol at a\scantokens{\relax#1}%
+ \expandafter\CF_grabsubmola\scantokens{\relax#1}%
}
-\def\CF at grab@submol at a#1\@nil{%
- \expandafter\assign at tonil\expandafter\CF at remain@molecule\scantokens\CF at three@ea{\expandafter\CF at gobarg\CF at gobarg#1}%
- \expandafter\assign at tonil\expandafter\CF at sub@mol\scantokens\CF at three@ea{\expandafter\CF at firsttonil\CF at gobarg#1\@nil}%
+\def\CF_grabsubmola#1\_nil{%
+ \expandafter\CF_assigntonil\expandafter\CF_molecule\scantokens\CF_threeea{\expandafter\CF_gobarg \CF_gobarg#1}%
+ \expandafter\CF_assigntonil\expandafter\CF_molinparen\scantokens\CF_threeea{\expandafter\CF_firsttonil\CF_gobarg#1\_nil}%
}
-\def\assign at tonil#1#2\@nil{\def#1{#2}}
-
-\def\CF at ifcar@isupperletter#1{%
+\def\CF_ifcarisupperletter#1{%
\ifcat\relax\noexpand#1%
- \let\CF at next\CF at execsecond% faux si c'est une sc
+ \let\CF_next\CF_execsecond% faux si c'est une sc
\else
\ifnum`#1<`A
- \let\CF at next\CF at execsecond
+ \let\CF_next\CF_execsecond
\else
\ifnum`#1>`Z
- \let\CF at next\CF at execsecond
+ \let\CF_next\CF_execsecond
\else
- \let\CF at next\CF at execfirst
+ \let\CF_next\CF_execfirst
\fi
\fi
\fi
- \CF at next
+ \CF_next
}
% Cr\xE9\xE9 4 noeuds au dessus et au dessous des noeuds #1 et #2
% \xE0 une distance de #3 du noeud #1 et #4 du noeud #2
-\def\CF at create@normnodes#1#2#3#4{%
- \CF at doifnotempty{#3}
- {\node[shape=coordinate,at=(#1),xshift=#3*\CF at norm@x,yshift=#3*\CF at norm@y](#11){};
- \node[shape=coordinate,at=(#1),xshift=-#3*\CF at norm@x,yshift=-#3*\CF at norm@y](#12){};
+\def\CF_createnormnodes#1#2#3#4{%
+ \CF_doifnotempty{#3}
+ {\node[shape=coordinate,at=(#1),xshift=#3*\CF_normx,yshift=#3*\CF_normy](#11){};
+ \node[shape=coordinate,at=(#1),xshift=-#3*\CF_normx,yshift=-#3*\CF_normy](#12){};
}%
- \CF at doifnotempty{#4}
- {\node[shape=coordinate,at=(#2),xshift=#4*\CF at norm@x,yshift=#4*\CF at norm@y](#21){};
- \node[shape=coordinate,at=(#2),xshift=-#4*\CF at norm@x,yshift=-#4*\CF at norm@y](#22){};
+ \CF_doifnotempty{#4}
+ {\node[shape=coordinate,at=(#2),xshift=#4*\CF_normx,yshift=#4*\CF_normy](#21){};
+ \node[shape=coordinate,at=(#2),xshift=-#4*\CF_normx,yshift=-#4*\CF_normy](#22){};
}%
}
-\def\CF at compute@nodevect#1#2{%
- \pgfextractx\CF at dim{\pgfpointanchor{#1}{center}}\edef\CF at dimax{\the\CF at dim}%
- \pgfextracty\CF at dim{\pgfpointanchor{#1}{center}}\edef\CF at dimay{\the\CF at dim}%
- \pgfextractx\CF at dim{\pgfpointanchor{#2}{center}}\edef\CF at dimbx{\the\CF at dim}%
- \pgfextracty\CF at dim{\pgfpointanchor{#2}{center}}\edef\CF at dimby{\the\CF at dim}%
- \pgfmathsetmacro\CF at len@vector{veclen(\CF at dimbx-\CF at dimax,\CF at dimby-\CF at dimay)}%
- \pgfmathsetmacro\CF at norm@x{(\CF at dimay-\CF at dimby)/\CF at len@vector}%
- \pgfmathsetmacro\CF at norm@y{(\CF at dimbx-\CF at dimax)/\CF at len@vector}%
+\def\CF_computenodevect#1#2{%
+ \pgfextractx\CF_dim{\pgfpointanchor{#1}{center}}\edef\CF_dimax{\the\CF_dim}%
+ \pgfextracty\CF_dim{\pgfpointanchor{#1}{center}}\edef\CF_dimay{\the\CF_dim}%
+ \pgfextractx\CF_dim{\pgfpointanchor{#2}{center}}\edef\CF_dimbx{\the\CF_dim}%
+ \pgfextracty\CF_dim{\pgfpointanchor{#2}{center}}\edef\CF_dimby{\the\CF_dim}%
+ \pgfmathsetmacro\CF_vectorlen{veclen(\CF_dimbx-\CF_dimax,\CF_dimby-\CF_dimay)}%
+ \pgfmathsetmacro\CF_normx{(\CF_dimay-\CF_dimby)/\CF_vectorlen}%
+ \pgfmathsetmacro\CF_normy{(\CF_dimbx-\CF_dimax)/\CF_vectorlen}%
}
-\def\CF at set@offset#1#2{%
- \CF at doifempty#1%
- {\edef#1{\ifx#2\CF at empty@node0pt\else\ifx#2\empty0pt\else\CF at bond@offset\fi\fi}}%
+\def\CF_setoffset#1#2{%
+ \CF_doifempty#1%
+ {\edef#1{%
+ \ifx#2\CF_emptynode
+ 0pt%
+ \else
+ \ifx#2\empty
+ 0pt%
+ \else
+ \CF_bondoffset
+ \fi
+ \fi}%
+ }%
}
-\def\CF at draw@bond#1#2#3#4#5{% #1=type de liaison #2 et #3:nom de noeuds de d\xE9but et fin #4 et #5: contenu des atomes de d\xE9but et fin
- \CF at set@offset\CF at start@offset#4%
- \CF at set@offset\CF at end@offset#5%
- \let\CF at current@bondstyle\CF at bond@style
- \CF at doifnotempty\CF at current@tikz{\CF at eadd@tocs\CF at current@bondstyle{\expandafter,\CF at current@tikz}}%
+\def\CF_drawbond#1#2#3#4#5{% #1=type de liaison #2 et #3:nom de noeuds de d\xE9but et fin #4 et #5: contenu des atomes de d\xE9but et fin
+ \CF_setoffset\CF_startoffset#4%
+ \CF_setoffset\CF_endoffset#5%
+ \let\CF_currentbondstyle\CF_bondstyle
+ \CF_doifnotempty\CF_currenttikz{\CF_eaddtomacro\CF_currentbondstyle{\expandafter,\CF_currenttikz}}%
\path(#2)--(#3)coordinate[pos=0](#2@)coordinate[pos=1](#3@);%
- \CF at compute@nodevect{#2@}{#3@}%
- \pgfmathsetmacro\CF at start@coeff{\CF at start@offset/\CF at len@vector}%
- \pgfmathsetmacro\CF at end@coeff{1-\CF at end@offset/\CF at len@vector}%
- \path(#2@)--(#3@)coordinate[pos=\CF at start@coeff](#2@@)coordinate[pos=\CF at end@coeff](#3@@);%
- \CF at doifnotempty\CF at movebond@name% on doit poser un noeud sur la liaison
- {\path(#2@@)--(#3@@)coordinate[overlay,pos=\CF at movebond@coeff](\CF at movebond@name);
- \let\CF at movebond@name\empty
+ \CF_computenodevect{#2@}{#3@}%
+ \pgfmathsetmacro\CF_startcoeff{\CF_startoffset/\CF_vectorlen}%
+ \pgfmathsetmacro\CF_endcoeff{1-\CF_endoffset/\CF_vectorlen}%
+ \path(#2@)--(#3@)coordinate[pos=\CF_startcoeff](#2@@)coordinate[pos=\CF_endcoeff](#3@@);%
+ \CF_doifnotempty\CF_movebondname% on doit poser un noeud sur la liaison
+ {\path(#2@@)--(#3@@)coordinate[overlay,pos=\CF_movebondcoeff](\CF_movebondname);
+ \let\CF_movebondname\empty
}%
\ifcase#1\relax
- \errmessage{Package \CFname\space Error: unknown bond type, this error should not occur^^JIf you think it's a bug, send a Minimal Example to the author}%
+ \CF_error{unknown bond type, this error should not occur^^JIf you think it's a bug, send a Minimal Example to the author}%
\or% 1 = liaison simple
- \CF at draw@axisbond{#2}{#3}% trace la liaison simple dans l'axe
+ \CF_drawaxisbond{#2}{#3}% trace la liaison simple dans l'axe
\or% 2 = liaison double
- \ifCF at incycle
- \ifnum\CF at doublebond@type=\z@
- \let\CF at doublebond@type\@ne
+ \ifCF_incycle
+ \ifnum\CF_doublebondtype=0
+ \def\CF_doublebondtype{1}%
\fi
- \ifnum\CF at split@state>\z@
- \let\CF at doublebond@type\tw@
+ \ifnum\CF_flipstate>0
+ \def\CF_doublebondtype{2}%
\fi
- \pgfmathsetmacro\CF at doublebond@lengthcorrection{\CF at double@sep*tan(180/\CF at cycle@num)}%
+ \pgfmathsetmacro\CF_doublebondlengthcorrection{\CF_doublesep*tan(180/\CF_cyclenum)}%
\fi
- \ifcase\CF at doublebond@type
- \CF at create@normnodes{#2@@}{#3@@}{\CF at double@sep/2}{\CF at double@sep/2}%
- \CF at draw@bond at a(#2@@1)--(#3@@1);
- \CF at draw@bond at a(#2@@2)--(#3@@2);
- \let\CF at joinbond\z@
+ \ifcase\CF_doublebondtype
+ \CF_createnormnodes{#2@@}{#3@@}{\CF_doublesep/2}{\CF_doublesep/2}%
+ \CF_drawbonda(#2@@1)--(#3@@1);
+ \CF_drawbonda(#2@@2)--(#3@@2);
+ \let\CF_joinbond\CF_zero
\or
- \CF at create@normnodes{#2@@}{#3@@}\CF at double@sep\CF at double@sep
- \CF at draw@axisbond{#2}{#3}% trace la liaison simple dans l'axe\CF at draw@bond at a(#2@@)--(#3@@);
+ \CF_createnormnodes{#2@@}{#3@@}\CF_doublesep\CF_doublesep
+ \CF_drawaxisbond{#2}{#3}% trace la liaison simple dans l'axe\CF_drawbonda(#2@@)--(#3@@);
\begingroup% ajuste \xE9ventuellement les longueurs des liaisons doubles
- \ifCF at incycle
- \ifdim\CF at start@offset=\z@
- \CF at edefadd@tocs\CF at current@bondstyle{,shorten <=\CF at doublebond@lengthcorrection pt}%
+ \ifCF_incycle
+ \ifdim\CF_startoffset=0pt
+ \CF_edefaddtomacro\CF_currentbondstyle{,shorten <=\CF_doublebondlengthcorrection pt}%
\fi
- \ifdim\CF at end@offset=\z@
- \CF at edefadd@tocs\CF at current@bondstyle{,shorten >=\CF at doublebond@lengthcorrection pt}%
+ \ifdim\CF_endoffset=0pt
+ \CF_edefaddtomacro\CF_currentbondstyle{,shorten >=\CF_doublebondlengthcorrection pt}%
\fi
\fi
- \CF at draw@bond at a(#2@@1)--(#3@@1);
+ \CF_drawbonda(#2@@1)--(#3@@1);
\endgroup
\or
- \CF at create@normnodes{#2@@}{#3@@}\CF at double@sep\CF at double@sep
- \CF at draw@axisbond{#2}{#3}% trace la liaison simple dans l'axe\CF at draw@bond at a(#2@@)--(#3@@);
+ \CF_createnormnodes{#2@@}{#3@@}\CF_doublesep\CF_doublesep
+ \CF_drawaxisbond{#2}{#3}% trace la liaison simple dans l'axe\CF_drawbonda(#2@@)--(#3@@);
\begingroup% ajuste \xE9ventuellement les longueurs des liaisons doubles
- \ifCF at incycle
- \ifdim\CF at start@offset=\z@
- \CF at edefadd@tocs\CF at current@bondstyle{,shorten \ifnum\CF at split@state=\z@<=-\else>=\fi\CF at doublebond@lengthcorrection pt}%
+ \ifCF_incycle
+ \ifdim\CF_startoffset=0pt
+ \CF_edefaddtomacro\CF_currentbondstyle{,shorten \ifnum\CF_flipstate=0 <=-\else>=\fi\CF_doublebondlengthcorrection pt}%
\fi
- \ifdim\CF at end@offset=\z@
- \CF at edefadd@tocs\CF at current@bondstyle{,shorten \ifnum\CF at split@state=\z@>=-\else<=\fi\CF at doublebond@lengthcorrection pt}%
+ \ifdim\CF_endoffset=0pt
+ \CF_edefaddtomacro\CF_currentbondstyle{,shorten \ifnum\CF_flipstate=0 >=-\else<=\fi\CF_doublebondlengthcorrection pt}%
\fi
\fi
- \CF at draw@bond at a(#2@@2)--(#3@@2);
+ \CF_drawbonda(#2@@2)--(#3@@2);
\endgroup
\fi
\or% 3 = liaison triple
- \CF at create@normnodes{#2@@}{#3@@}\CF at double@sep\CF at double@sep
- \CF at draw@axisbond{#2}{#3}% trace la liaison simple dans l'axe\CF at draw@bond at a(#2@@)--(#3@@);
- \CF at draw@bond at a(#2@@1)--(#3@@1);
- \CF at draw@bond at a(#2@@2)--(#3@@2);
+ \CF_createnormnodes{#2@@}{#3@@}\CF_doublesep\CF_doublesep
+ \CF_drawaxisbond{#2}{#3}% trace la liaison simple dans l'axe\CF_drawbonda(#2@@)--(#3@@);
+ \CF_drawbonda(#2@@1)--(#3@@1);
+ \CF_drawbonda(#2@@2)--(#3@@2);
\or% 4 = liaison Cram pleine de #2 vers #3
- \CF at create@normnodes{#2@@}{#3@@}{\CF at cram@basewidth/2}{}%
- \expandafter\filldraw\expandafter[\CF at current@bondstyle,line join=bevel](#2@@1)--(#2@@2)--(#3@@)--cycle;
- \let\CF at joinbond\z@
+ \CF_createnormnodes{#2@@}{#3@@}{\CF_crambasewidth/2}{}%
+ \CF_expafter{\filldraw[}\CF_currentbondstyle,line join=bevel](#2@@1)--(#2@@2)--(#3@@)--cycle;
+ \let\CF_joinbond\CF_zero
\or% 5 = liaison Cram creuse de #3 vers #2
- \CF at create@normnodes{#3@@}{#2@@}{\CF at cram@basewidth/2}{}%
- \expandafter\filldraw\expandafter[\CF at current@bondstyle,line join=bevel](#3@@1)--(#3@@2)--(#2@@)--cycle;
- \let\CF at joinbond\z@
+ \CF_createnormnodes{#3@@}{#2@@}{\CF_crambasewidth/2}{}%
+ \CF_expafter{\filldraw[}\CF_currentbondstyle,line join=bevel](#3@@1)--(#3@@2)--(#2@@)--cycle;
+ \let\CF_joinbond\CF_zero
\or% 6 = liaison Cram pointill\xE9e de #2 vers #3
\scope
- \CF at create@normnodes{#2@@}{#3@@}{\CF at cram@basewidth/2}{}%
- \CF at clipcramornot(#2@@1)--(#2@@2)--(#3@@)--(#2@@1);
- \expandafter\draw\expandafter[\CF at current@bondstyle,dash pattern=on \CF at cram@dashlength off \CF at cram@dashsep,line width=\CF at cram@basewidth](#2@@)--(#3@@);
+ \CF_createnormnodes{#2@@}{#3@@}{\CF_crambasewidth/2}{}%
+ \CF_clipcramornot(#2@@1)--(#2@@2)--(#3@@)--(#2@@1);
+ \CF_expafter{\draw[}\CF_currentbondstyle,dash pattern=on \CF_cramdashlength off \CF_cramdashsep,line width=\CF_crambasewidth](#2@@)--(#3@@);
\endscope
- \let\CF at joinbond\z@
+ \let\CF_joinbond\CF_zero
\or% 7 = liaison Cram pointill\xE9e de #3 vers #2
\scope
- \CF at create@normnodes{#3@@}{#2@@}{\CF at cram@basewidth/2}{}%
- \CF at clipcramornot(#3@@1)--(#3@@2)--(#2@@)--(#3@@1);
- \expandafter\draw\expandafter[\CF at current@bondstyle,dash pattern=on \CF at cram@dashlength off \CF at cram@dashsep,line width=\CF at cram@basewidth](#3@@)--(#2@@);
+ \CF_createnormnodes{#3@@}{#2@@}{\CF_crambasewidth/2}{}%
+ \CF_clipcramornot(#3@@1)--(#3@@2)--(#2@@)--(#3@@1);
+ \CF_expafter{\draw[}\CF_currentbondstyle,dash pattern=on \CF_cramdashlength off \CF_cramdashsep,line width=\CF_crambasewidth](#3@@)--(#2@@);
\endscope
- \let\CF at joinbond\z@
+ \let\CF_joinbond\CF_zero
\or% 8 = liaison cram rectangle \xE9vid\xE9 de #2 vers #3
- \CF at create@normnodes{#2@@}{#3@@}{\CF at cram@basewidth/2}{}%
- \expandafter\draw\expandafter[\CF at current@bondstyle,line join=bevel](#2@@1)--(#2@@2)--(#3@@)--cycle;
- \let\CF at joinbond\z@
+ \CF_createnormnodes{#2@@}{#3@@}{\CF_crambasewidth/2}{}%
+ \CF_expafter{\draw[}\CF_currentbondstyle,line join=bevel](#2@@1)--(#2@@2)--(#3@@)--cycle;
+ \let\CF_joinbond\CF_zero
\or% 9 = liaison cram rectangle \xE9vid\xE9 de #3 vers #1
- \CF at create@normnodes{#3@@}{#2@@}{\CF at cram@basewidth/2}{}%
- \expandafter\draw\expandafter[\CF at current@bondstyle,line join=bevel](#3@@1)--(#3@@2)--(#2@@)--cycle;
- \let\CF at joinbond\z@
+ \CF_createnormnodes{#3@@}{#2@@}{\CF_crambasewidth/2}{}%
+ \CF_expafter{\draw[}\CF_currentbondstyle,line join=bevel](#3@@1)--(#3@@2)--(#2@@)--cycle;
+ \let\CF_joinbond\CF_zero
\else
- \errmessage{Package \CFname\space Error: unknown bond type, this error should not occur^^JIf you think it's a bug, send a Minimal Example to the author}%
+ \CF_error{unknown bond type, this error should not occur^^JIf you think it's a bug, send a Minimal Example to the author}%
\fi
- \let\CF at start@offset\empty
- \let\CF at end@offset\empty
- \let\CF at previous@tikz\CF at current@tikz
- \let\CF at previous@bondangle\CF at previous@angle
- \def\CF at previous@bond{#1}%
+ \let\CF_startoffset\empty
+ \let\CF_endoffset\empty
+ \let\CF_previoustikz\CF_currenttikz
+ \let\CF_previousbondangle\CF_previousangle
+ \def\CF_previousbond{#1}%
}
-\def\CF at draw@axisbond at nojoin#1#2{\CF at draw@bond at a(#1@@)--(#2@@);}
+\def\CF_drawaxisbondnojoin#1#2{\CF_drawbonda(#1@@)--(#2@@);}
-\def\CF at draw@axisbond at join#1#2{% dessine une liaison simple dans l'axe avec raccord r\xE9trograde
- \ifCF at incycle\ifnum\CF at cnt@cycle=\CF at cycle@num\relax\let\CF at next@tikz\CF at cycle@firsttikz\fi\fi
- \ifnum\CF at joinbond=\z@
- \ifCF at incycle
- \ifnum\CF at cnt@cycle=\CF at cycle@num\relax
- \ifnum\CF at cycle@joinlast=\@ne
- \CF at draw@bond at a(#1@@)--(#2@@)--%
- ([shift=(\CF at previous@bondangle+2*\CF at cycle@increment at angle:.5\pgflinewidth)]#2@@);
+\def\CF_drawaxisbondjoin#1#2{% dessine une liaison simple dans l'axe avec raccord r\xE9trograde
+ \ifCF_incycle\ifnum\CF_cntcycle=\CF_cyclenum\relax
+ \let\CF_nexttikz\CF_cyclefirsttikz
+ \fi\fi
+ \ifnum\CF_joinbond=0
+ \ifCF_incycle
+ \ifnum\CF_cntcycle=\CF_cyclenum\relax
+ \ifnum\CF_cyclejoinlast=1
+ \CF_drawbonda(#1@@)--(#2@@)--%
+ ([shift=(\CF_previousbondangle+2*\CF_cycleincrementangle:.5\pgflinewidth)]#2@@);
\else
- \CF at draw@bond at a(#1@@)--(#2@@);
+ \CF_drawbonda(#1@@)--(#2@@);
\fi
\else
- \CF at draw@bond at a(#1@@)--(#2@@);
+ \CF_drawbonda(#1@@)--(#2@@);
\fi
\else
- \CF at draw@bond at a(#1@@)--(#2@@);
+ \CF_drawbonda(#1@@)--(#2@@);
\fi
- \let\CF at joinbond\@ne
+ \def\CF_joinbond{1}%
\else
- \CF at ifx\CF at previous@tikz\CF at current@tikz
- {\let\CF at joinbond\@ne
- \CF at ifx\CF at previous@atomgroup\CF at empty@node
- {\CF at ifx\CF at previous@bondangle\empty% si d\xE9but mol\xE9cule
- {\CF at draw@bond at a(#1@@)--(#2@@);
+ \CF_ifx\CF_previoustikz\CF_currenttikz
+ {\def\CF_joinbond{1}%
+ \CF_ifx\CF_previousatomgroup\CF_emptynode
+ {\CF_ifx\CF_previousbondangle\empty% si d\xE9but mol\xE9cule
+ {\CF_drawbonda(#1@@)--(#2@@);
}
- {\ifdim\CF at start@offset=\z@
- \ifCF at incycle
- \ifnum\CF at cnt@cycle=\CF at cycle@num\relax
- \ifnum\CF at cycle@joinlast=\@ne
- \CF at ifx\CF at cycle@firsttikz\CF at current@tikz
- {\CF at draw@bond at a([shift=(\CF at previous@bondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@)--%
- ([shift=(\CF at previous@bondangle+2*\CF at cycle@increment at angle:.5\pgflinewidth)]#2@@);
+ {\ifdim\CF_startoffset=0pt
+ \ifCF_incycle
+ \ifnum\CF_cntcycle=\CF_cyclenum\relax
+ \ifnum\CF_cyclejoinlast=1
+ \CF_ifx\CF_cyclefirsttikz\CF_currenttikz
+ {\CF_drawbonda([shift=(\CF_previousbondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@)--%
+ ([shift=(\CF_previousbondangle+2*\CF_cycleincrementangle:.5\pgflinewidth)]#2@@);
}
- {\CF at draw@bond at a([shift=(\CF at previous@bondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@);
+ {\CF_drawbonda([shift=(\CF_previousbondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@);
}%
\else
- \CF at draw@bond at a([shift=(\CF at previous@bondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@);
+ \CF_drawbonda([shift=(\CF_previousbondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@);
\fi
\else
- \CF at draw@bond at a([shift=(\CF at previous@bondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@);
+ \CF_drawbonda([shift=(\CF_previousbondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@);
\fi
\else
- \CF at draw@bond at a([shift=(\CF at previous@bondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@);
+ \CF_drawbonda([shift=(\CF_previousbondangle:-.5\pgflinewidth)]#1@@)--(#1@@)--(#2@@);
\fi
\else
- \CF at draw@bond at a(#1@@)--(#2@@);
+ \CF_drawbonda(#1@@)--(#2@@);
\fi
}%
}
- {\CF at draw@bond at a(#1@@)--(#2@@);}%
+ {\CF_drawbonda(#1@@)--(#2@@);}%
}
- {\ifCF at incycle
- \ifnum\CF at cnt@cycle=\CF at cycle@num\relax
- \ifnum\CF at cycle@joinlast=\@ne
- \CF at ifx\CF at next@tikz\CF at current@tikz
- {\CF at draw@bond at a(#1@@)--(#2@@)--%
- ([shift=(\CF at previous@bondangle+2*\CF at cycle@increment at angle:.5\pgflinewidth)]#2@@);
- }%
- {\CF at draw@bond at a(#1@@)--(#2@@);
- }%
+ {\ifCF_incycle
+ \ifnum\CF_cntcycle=\CF_cyclenum\relax
+ \ifnum\CF_cyclejoinlast=1
+ \CF_ifx\CF_nexttikz\CF_currenttikz
+ {\CF_drawbonda(#1@@)--(#2@@)--([shift=(\CF_previousbondangle+2*\CF_cycleincrementangle:.5\pgflinewidth)]#2@@);}%
+ {\CF_drawbonda(#1@@)--(#2@@);}%
\else
- \CF at draw@bond at a(#1@@)--(#2@@);
+ \CF_drawbonda(#1@@)--(#2@@);
\fi
\else
- \CF at draw@bond at a(#1@@)--(#2@@);
+ \CF_drawbonda(#1@@)--(#2@@);
\fi
\else
- \CF at draw@bond at a(#1@@)--(#2@@);
+ \CF_drawbonda(#1@@)--(#2@@);
\fi
}%
\fi
- \ifdim\CF at end@offset=\z@\else\let\CF at joinbond\z@\fi
+ \ifdim\CF_endoffset=0pt \else
+ \let\CF_joinbond\CF_zero
+ \fi
}
-\def\CF at draw@bond at a{\expandafter\draw\expandafter[\CF at current@bondstyle]}
+\def\CF_drawbonda{\CF_expafter{\draw[}\CF_currentbondstyle]}
-\def\CF at hook@drawall{% dessine tous les crochets contenus dans la sc \CF at hook@draw
- \CF at doifnotempty\CF at hook@drawlist
- {\expandafter\CF at hook@drawfirst\CF at hook@drawlist\@nil% trace un lien de crochet \xE0 crochet
- \CF at hook@drawall
+\def\CF_hookdrawall{% dessine tous les crochets contenus dans la sc \CF_hookdraw
+ \CF_doifnotempty\CF_hookdrawlist
+ {\expandafter\CF_hookdrawfirst\CF_hookdrawlist\_nil% trace un lien de crochet \xE0 crochet
+ \CF_hookdrawall
}%
}
-\def\CF at hook@drawfirst[#1,#2,#3]#4#5#6#7#8\@nil{%
- \def\CF at hook@drawlist{#8}%
+\def\CF_hookdrawfirst[#1,#2,#3]#4#5#6#7#8\_nil{%
+ \def\CF_hookdrawlist{#8}%
\begingroup
- \let\CF at joinbond\z@
- \def\CF at current@tikz{#3}%
- \def\CF at hook@startcontent{#6}\def\CF at hook@endcontent{#7}%
- \CF at if@integer{#2}%
- {\CF at draw@bond{#2}{#4}{#5}\CF at hook@startcontent\CF at hook@endcontent}%
- {\CF at bond@findcode{#2}\CF at bond@currentnum
- \CF at draw@bond\CF at bond@currentnum{#4}{#5}\CF at hook@startcontent\CF at hook@endcontent
+ \let\CF_joinbond\CF_zero
+ \def\CF_currenttikz{#3}%
+ \def\CF_hookstartcontent{#6}\def\CF_hookendcontent{#7}%
+ \CF_ifinteger{#2}%
+ {\CF_drawbond{#2}{#4}{#5}\CF_hookstartcontent\CF_hookendcontent
}%
+ {\CF_assignbondcode{#2}\CF_bondcurrentnum
+ \CF_drawbond\CF_bondcurrentnum{#4}{#5}\CF_hookstartcontent\CF_hookendcontent
+ }%
\endgroup
}
-\def\CF at extract@atom#1-#2\@nil{#2}% transforme le bound at outnode en n\xB0 de l'atome
+\def\CF_extractatom#1-#2\_nil{#2}% transforme le bound at outnode en n\xB0 de l'atome
-\expandafter\def\expandafter\CF at gobble@movearg\CF at arobas#1#2\@nil#3{%
- \expandafter\def\csname atom@\number\CF at cnt@atomnumber\endcsname{#2}%
- \CF at if@instr{#1},%
- {\CF at analyse@movearg#1\@nil#3\let\CF at movebond@coeff\empty}%
+\def\CF_gobblemovearg @#1#2\_nil#3{%
+ \expandafter\def\csname atom_\number\CF_cntatom\endcsname{#2}%
+ \CF_ifinstr{#1},%
+ {\CF_analysemovearg#1\_nil#3\let\CF_movebondcoeff\empty}%
{\def#3{#1}}%
- \CF at doifempty{#2}{\let\CF at node@strut\empty}%
+ \CF_doifempty{#2}{\let\CF_nodestrut\empty}%
}%
-\def\hflipnext{\let\CF at split@state\@ne}
+\def\hflipnext{\def\CF_flipstate{1}}
-\def\vflipnext{\let\CF at split@state\tw@}
-\let\CF at split@state\z@
+\def\vflipnext{\def\CF_flipstate{2}}
+\let\CF_flipstate\CF_zero
-\def\CF at draw@atomgroup#1#2#3{% #1=angle d'arriv\xE9e de la liaison #2=numero atome sur lequel arrive la liaison #3=groupe d'atomes
- \expandafter\let\expandafter\CF at bond@outcontent% assigne le contenu de l'atome d'o\xF9 part la liaison
+\def\CF_drawatomgroup#1#2#3{% #1=angle d'arriv\xE9e de la liaison #2=numero atome sur lequel arrive la liaison #3=groupe d'atomes
+ \expandafter\let\expandafter\CF_bondoutcontent% assigne le contenu de l'atome d'o\xF9 part la liaison
\csname
- \ifdefined\CF at bond@outnode
- atom@\expandafter\CF at extract@atom\CF at bond@outnode\@nil
+ \ifdefined\CF_bondoutnode
+ atom_\expandafter\CF_extractatom\CF_bondoutnode\_nil
\else
- @empty%
+ empty%
\fi
\endcsname
- \global\advance\CF at cnt@groupnumber\@ne
- \let\CF at current@atom\empty
- \global\let\CF at hook@drawlist\empty
- \CF at cnt@atomingroup\z@
- \CF at if@firsttokmatch{#3}?{\CF at draw@atomgroup at a{{}#3}}{\CF at draw@atomgroup at a{#3}}%
- \def\CF at current@atomgroup{#3}%
- \CF at remove@movearg\CF at current@atomgroup% enl\xE8ve les "@{<nom>}"
- \CF at if@instr{#3}?%
- {\CF at remove@hook\CF at current@atomgroup
- \ifcat\relax\detokenize\expandafter{\romannumeral-`\.\expandafter\noexpand\CF at current@atomgroup}\relax
- \let\CF at current@atomgroup\CF at empty@node
+ \global\advance\CF_cntgroup1
+ \let\CF_currentatom\empty
+ \global\let\CF_hookdrawlist\empty
+ \CF_cntatomgroup0
+ \CF_iffirsttokmatch{#3}?
+ {\CF_drawatomgroupa{{}#3}}
+ {\CF_drawatomgroupa{#3}}%
+ \def\CF_currentatomgroup{#3}%
+ \CF_removemovearg\CF_currentatomgroup% enl\xE8ve les "@{<nom>}"
+ \CF_ifinstr{#3}?%
+ {\CF_removehook\CF_currentatomgroup
+ \ifcat\relax\detokenize\expandafter{\romannumeral-`\.\expandafter\noexpand\CF_currentatomgroup}\relax
+ \let\CF_currentatomgroup\CF_emptynode
\fi
}%
{}%
- \CF at doifnotempty{#2}
- {\ifnum#2<\@ne
- \immediate\write-1{Package \CFname\space Warning: no atom found at position #2, pershaps you mispelled the optional argument of the bond.}%
+ \CF_doifnotempty{#2}
+ {\ifnum#2<1
+ \CF_warning{no atom found at position #2, pershaps you mispelled the optional argument of the bond.}%
\else
- \ifnum#2>\CF at cnt@atomingroup
- \errmessage{Package \CFname\space Error: no atom found at position #2, pershaps you mispelled the optional argument of the bond.}%
+ \ifnum#2>\CF_cntatomgroup
+ \CF_error{no atom found at position #2, pershaps you mispelled the optional argument of the bond.}%
\fi
\fi
}%
- \edef\CF at hook@atomnumber{%
- \CF at ifempty{#2}
+ \edef\CF_hookatomnumber{%
+ \CF_ifempty{#2}
{\ifdim#1pt>90pt
- \ifdim#1pt<270pt \number\CF at cnt@atomingroup\else1\fi
- \else1%
+ \ifdim#1pt<270pt
+ \number\CF_cntatomgroup
+ \else
+ 1%
+ \fi
+ \else
+ 1%
\fi
}
- {#2}%
+ {#2%
+ }%
}%
- \CF at cnt@atomnumber\CF at hook@atomnumber
- \CF at ifx\CF at current@atomgroup\CF at empty@node
- {\let\CF at node@strut\empty}
- {\CF at ifx\empty\CF at bond@outcontentsaved
- {\def\CF at node@strut{\vphantom\CF at bond@outcontent}}%
- {\def\CF at node@strut{\vphantom\CF at bond@outcontentsaved}}%
+ \CF_cntatom\CF_hookatomnumber
+ \CF_ifx\CF_currentatomgroup\CF_emptynode
+ {\let\CF_nodestrut\empty
+ }
+ {\CF_ifx\empty\CF_bondoutcontentsaved
+ {\def\CF_nodestrut{\vphantom\CF_bondoutcontent}}%
+ {\def\CF_nodestrut{\vphantom\CF_bondoutcontentsaved}}%
}%
- \edef\CF at opt@string{anchor=\ifnum\CF at last@action=\z@ base\else\ifCF at incycle center\else\ifCF at macrofixedbondlength 180+#1\else center\fi\fi\fi,at=(CF at node),\CF at node@style}% premier atome de la mol\xE9cule affich\xE9
+ \edef\CF_optstring{anchor=\ifnum\CF_lastaction=0 base\else\ifCF_incycle center\else\ifCF_macrofixedbondlength 180+#1\else center\fi\fi\fi,at=(CF_node),\CF_nodestyle}% premier atome de la mol\xE9cule affich\xE9
\loop
- \unless\ifnum\CF at cnt@atomnumber>\CF at cnt@atomingroup
- \CF at eexp@after
- {\futurelet\CF at toks@a}
- {\expandafter\expandafter\expandafter\CF at gobtonil\csname atom@\number\CF at cnt@atomnumber\endcsname\@nil}%
- \expandafter\CF at ifx\CF at arobas\CF at toks@a% l'atome courant commence par un "@"
- {\CF at three@ea\CF at gobble@movearg\csname atom@\number\CF at cnt@atomnumber\endcsname\@nil\CF at moveatom@name
- \expandafter\node\expandafter[\CF at opt@string,overlay](\CF at moveatom@name){\phantom{\CF at node@content}};%
- \let\CF at moveatom@name\empty
+ \unless\ifnum\CF_cntatom>\CF_cntatomgroup
+ \CF_eexpafter
+ {\futurelet\CF_toksa}
+ {\expandafter\expandafter\expandafter\CF_gobtonil\csname atom_\number\CF_cntatom\endcsname\_nil}%
+ \CF_ifx @\CF_toksa% l'atome courant commence par un "@"
+ {\CF_threeea\CF_gobblemovearg\csname atom_\number\CF_cntatom\endcsname\_nil\CF_moveatomname
+ \CF_expafter{\node[}\CF_optstring,overlay](\CF_moveatomname){\phantom{\CF_nodecontent}};%
+ \let\CF_moveatomname\empty
}
{}%
- \expandafter\node\expandafter[\CF at opt@string](n\number\CF at cnt@groupnumber-\number\CF at cnt@atomnumber){\CF at node@content};%
- \let\CF at node@strut\empty
- \advance\CF at cnt@atomnumber\@ne
- \edef\CF at opt@string{anchor=base \ifnum\CF at split@state=\@ne east\else west\fi,at=(n\number\CF at cnt@groupnumber-\number\numexpr\CF at cnt@atomnumber-1.base \ifnum\CF at split@state=\@ne west\else east\fi),\CF at node@style}%
+ \CF_expafter{\node[}\CF_optstring](n\number\CF_cntgroup-\number\CF_cntatom){\CF_nodecontent};%
+ \let\CF_nodestrut\empty
+ \advance\CF_cntatom1
+ \edef\CF_optstring{anchor=base \ifnum\CF_flipstate=1 east\else west\fi,at=(n\number\CF_cntgroup-\number\numexpr\CF_cntatom-1.base \ifnum\CF_flipstate=1 west\else east\fi),\CF_nodestyle}%
\repeat
- \CF at cnt@atomnumber\CF at hook@atomnumber
- \ifnum\CF at last@action=\tw@% s'il faut tracer une liaison
- \gdef\CF at cycle@anglecorrection{0}% alors c'est qu'un cycle ne peut pas commencer la mol\xE9cule : annulation de la correction d'angle
- \CF at draw@bond\CF at bond@type{\CF at bond@outnode}{n\number\CF at cnt@groupnumber-\number\CF at cnt@atomnumber}\CF at previous@atomgroup\CF at current@atomgroup
+ \CF_cntatom\CF_hookatomnumber
+ \ifnum\CF_lastaction=2 % s'il faut tracer une liaison
+ \gdef\CF_cycleanglecorrection{0}% alors c'est qu'un cycle ne peut pas commencer la mol\xE9cule : annulation de la correction d'angle
+ \CF_drawbond\CF_bondtype{\CF_bondoutnode}{n\number\CF_cntgroup-\number\CF_cntatom}\CF_previousatomgroup\CF_currentatomgroup
\fi
- \let\CF at last@action\@ne% met la derni\xE8re action \xE0 1 : affichage d'un noeud
+ \def\CF_lastaction{1}% met la derni\xE8re action \xE0 1 : affichage d'un noeud
\loop
- \ifnum\CF at cnt@atomnumber>\@ne
- \advance\CF at cnt@atomnumber-1
- \edef\CF at opt@string{anchor=base \ifnum\CF at split@state=\@ne west\else east\fi,at=(n\number\CF at cnt@groupnumber-\number\numexpr\CF at cnt@atomnumber+1.base \ifnum\CF at split@state=\@ne east\else west\fi),\CF at node@style}%
- \CF at eexp@after
- {\futurelet\CF at toks@a}
- {\expandafter\expandafter\expandafter\CF at gobtonil\csname atom@\number\CF at cnt@atomnumber\endcsname\@nil}%
- \expandafter\CF at ifx\CF at arobas\CF at toks@a% l'atome courant commence par un "@"
- {\CF at three@ea\CF at gobble@movearg\csname atom@\number\CF at cnt@atomnumber\endcsname\@nil\CF at moveatom@name
- \expandafter\node\expandafter[\CF at opt@string,overlay](\CF at moveatom@name){\phantom{\CF at node@content}};%
- \let\CF at moveatom@name\empty
+ \ifnum\CF_cntatom>1
+ \advance\CF_cntatom-1
+ \edef\CF_optstring{anchor=base \ifnum\CF_flipstate=1 west\else east\fi,at=(n\number\CF_cntgroup-\number\numexpr\CF_cntatom+1.base \ifnum\CF_flipstate=1 east\else west\fi),\CF_nodestyle}%
+ \CF_eexpafter
+ {\futurelet\CF_toksa}
+ {\expandafter\expandafter\expandafter\CF_gobtonil\csname atom_\number\CF_cntatom\endcsname\_nil}%
+ \CF_ifx @\CF_toksa% l'atome courant commence par un "@"
+ {\CF_threeea\CF_gobblemovearg\csname atom_\number\CF_cntatom\endcsname\_nil\CF_moveatomname
+ \CF_expafter{\node[}\CF_optstring,overlay](\CF_moveatomname){\phantom{\CF_nodecontent}};%
+ \let\CF_moveatomname\empty
}
{}%
- \expandafter\node\expandafter[\CF at opt@string](n\number\CF at cnt@groupnumber-\number\CF at cnt@atomnumber){\CF at node@content};%
+ \CF_expafter{\node[}\CF_optstring](n\number\CF_cntgroup-\number\CF_cntatom){\CF_nodecontent};%
\repeat
- \CF at hook@drawall
- \edef\CF at last@groupnumber{\number\CF at cnt@groupnumber}%
- \let\CF at previous@atomgroup\CF at current@atomgroup
+ \CF_hookdrawall
+ \edef\CF_lastgroupnumber{\number\CF_cntgroup}%
+ \let\CF_previousatomgroup\CF_currentatomgroup
}
-\expandafter\def\expandafter\CF at keep@movearg\CF at arobas#1#2\@nil{\CF at exp@second{\def\CF at current@atom}{\CF at arobas{#1}}}
+\def\CF_keepmovearg @#1#2\_nil{\def\CF_currentatom{@{#1}}}
-\def\CF at draw@atomgroup at a#1{% transforme #1 en un groupe d'atomes
- \CF at ifempty{#1}
- {\expandafter\let\csname atom@\number\CF at cnt@atomingroup\endcsname\CF at current@atom}
- {\advance\CF at cnt@atomingroup\@ne
- \futurelet\CF at toks@a\CF at gobtonil#1\@nil
- \expandafter\CF at ifx\CF at arobas\CF at toks@a
- {\CF at keep@movearg#1\@nil
- \CF at remove@movearg at a#1\@nil\CF at after@movearg
- \CF at exp@macroarg\CF at draw@atomgroup at b{\CF at after@movearg}%
+\def\CF_drawatomgroupa#1{% transforme #1 en un groupe d'atomes
+ \CF_ifempty{#1}
+ {\expandafter\let\csname atom_\number\CF_cntatomgroup\endcsname\CF_currentatom
+ }
+ {\advance\CF_cntatomgroup1
+ \futurelet\CF_toksa\CF_gobtonil#1\_nil
+ \CF_ifx @\CF_toksa
+ {\CF_keepmovearg#1\_nil
+ \CF_removemovearga#1\_nil\CF_aftermovearg
+ \CF_expsecond\CF_drawatomgroupb{\CF_aftermovearg}%
}%
- {\let\CF at current@atom\empty
- \CF at draw@atomgroup at b{#1}%
+ {\let\CF_currentatom\empty
+ \CF_drawatomgroupb{#1}%
}%
}%
}
-\def\CF at draw@atomgroup at b#1{%
- \CF at ifempty{#1}
- {\expandafter\let\csname atom@\number\CF at cnt@atomingroup\endcsname\CF at current@atom}
- {\futurelet\CF at toks@a\CF at gobtonil#1\@nil
- \CF at ifx\bgroup\CF at toks@a
- {\CF at eadd@tocs\CF at current@atom{\expandafter{\CF at firsttonil#1\@nil}}%
- \CF at exp@macroarg\CF at draw@atomgroup at bi{\CF at gobarg#1}%
+\def\CF_drawatomgroupb#1{%
+ \CF_ifempty{#1}
+ {\expandafter\let\csname atom_\number\CF_cntatomgroup\endcsname\CF_currentatom
+ }
+ {\futurelet\CF_toksa\CF_gobtonil#1\_nil
+ \CF_ifx\bgroup\CF_toksa
+ {\CF_eaddtomacro\CF_currentatom{\expandafter{\CF_firsttonil#1\_nil}}%
+ \CF_expsecond\CF_drawatomgroupba{\CF_gobarg#1}%
}%
- {\CF at ifx\@sptoken\CF at toks@a
- {\CF at add@tocs\CF at current@atom{ }%
- \CF at exp@macroarg\CF at draw@atomgroup at bi{\CF at after@space#1\@nil}%
+ {\CF_ifx\CF_sptoken\CF_toksa
+ {\CF_addtomacro\CF_currentatom{ }%
+ \CF_expsecond\CF_drawatomgroupba{\CF_afterspace#1\_nil}%
}%
- {\CF at eadd@tocs\CF at current@atom{\CF at firsttonil#1\@nil}%
- \CF at exp@macroarg\CF at draw@atomgroup at bi{\CF at gobarg#1}%
+ {\CF_eaddtomacro\CF_currentatom{\CF_firsttonil#1\_nil}%
+ \CF_expsecond\CF_drawatomgroupba{\CF_gobarg#1}%
}%
}%
}%
@@ -1283,73 +1453,73 @@
}
% enl\xE8ve tous les "@{nom}" de la sc #1
-\def\CF at remove@movearg#1{%
- \CF at exp@after{\expandafter\CF at if@instr\expandafter{#1}}{\CF at arobas}%
- {\expandafter\CF at remove@movearg at a#1\@nil#1%
- \CF at remove@movearg#1%
+\def\CF_removemovearg#1{%
+ \CF_expsecond\CF_ifinstr{#1}@%
+ {\expandafter\CF_removemovearga#1\_nil#1%
+ \CF_removemovearg#1%
}%
{}%
}
% enl\xE8ve le premier "@{<nom>}" de l'argument et l'assigne \xE0 #2
-\def\CF at remove@movearg at a#1\@nil#2{%
- \expandafter\def\expandafter\CF at remove@movearg at b\expandafter##\expandafter1\CF at arobas{%
- \CF at exp@second{\def#2}{\CF at gobarg##1}% mange le \relax
- \CF at remove@movearg at c\relax
+\def\CF_removemovearga#1\_nil#2{%
+ \def\CF_removemoveargb##1@{%
+ \CF_expsecond{\def#2}{\CF_gobarg##1}% mange le \relax
+ \CF_removemoveargc\relax
}%
- \def\CF at remove@movearg at c##1\@nil{\CF at eadd@tocs#2{\CF at gobtwoargs##1}}% mange le \relax et le <nom>
- \CF at remove@movearg at b\relax#1\@nil
+ \def\CF_removemoveargc##1\_nil{\CF_eaddtomacro#2{\CF_gobtwoargs##1}}% mange le \relax et le <nom>
+ \CF_removemoveargb\relax#1\_nil
}
-\def\CF at draw@atomgroup at bi#1{% transforme #1 en un groupe d'atomes
- \CF at ifempty{#1}
- {\expandafter\let\csname atom@\number\CF at cnt@atomingroup\endcsname\CF at current@atom
- \let\CF at current@atom\empty
+\def\CF_drawatomgroupba#1{% transforme #1 en un groupe d'atomes
+ \CF_ifempty{#1}
+ {\expandafter\let\csname atom_\number\CF_cntatomgroup\endcsname\CF_currentatom
+ \let\CF_currentatom\empty
}
- {\futurelet\CF at toks@a\CF at gobtonil#1\@nil
- \expandafter\CF at ifx\CF at arobas\CF at toks@a
- {\expandafter\let\csname atom@\number\CF at cnt@atomingroup\endcsname\CF at current@atom
- \let\CF at current@atom\empty
- \CF at draw@atomgroup at a{#1}%
+ {\futurelet\CF_toksa\CF_gobtonil#1\_nil
+ \CF_ifx @\CF_toksa
+ {\expandafter\let\csname atom_\number\CF_cntatomgroup\endcsname\CF_currentatom
+ \let\CF_currentatom\empty
+ \CF_drawatomgroupa{#1}%
}%
- {\CF at ifx|\CF at toks@a
- {\expandafter\let\csname atom@\number\CF at cnt@atomingroup\endcsname\CF at current@atom
- \let\CF at current@atom\empty
- \CF at exp@macroarg\CF at draw@atomgroup at a{\CF at gobarg#1}%
+ {\CF_ifx|\CF_toksa
+ {\expandafter\let\csname atom_\number\CF_cntatomgroup\endcsname\CF_currentatom
+ \let\CF_currentatom\empty
+ \CF_expsecond\CF_drawatomgroupa{\CF_gobarg#1}%
}%
- {\CF at ifx\@sptoken\CF at toks@a
- {\CF at add@tocs\CF at current@atom{ }%
- \CF at exp@macroarg\CF at draw@atomgroup at bi{\CF at after@space#1\@nil}%
+ {\CF_ifx\CF_sptoken\CF_toksa
+ {\CF_addtomacro\CF_currentatom{ }%
+ \CF_expsecond\CF_drawatomgroupba{\CF_afterspace#1\_nil}%
}%
- {\CF at ifx\bgroup\CF at toks@a
- {\CF at eadd@tocs\CF at current@atom{\expandafter{\CF at firsttonil#1\@nil}}%
- \CF at exp@macroarg\CF at draw@atomgroup at bi{\CF at gobarg#1}%
+ {\CF_ifx\bgroup\CF_toksa
+ {\CF_eaddtomacro\CF_currentatom{\expandafter{\CF_firsttonil#1\_nil}}%
+ \CF_expsecond\CF_drawatomgroupba{\CF_gobarg#1}%
}%
- {\CF at exp@macroarg\CF at ifcar@isupperletter{\CF at firsttonil#1\@nil}%
- {\expandafter\let\csname atom@\number\CF at cnt@atomingroup\endcsname\CF at current@atom
- \let\CF at current@atom\empty
- \CF at draw@atomgroup at a{#1}%
+ {\CF_expsecond\CF_ifcarisupperletter{\CF_firsttonil#1\_nil}%
+ {\expandafter\let\csname atom_\number\CF_cntatomgroup\endcsname\CF_currentatom
+ \let\CF_currentatom\empty
+ \CF_drawatomgroupa{#1}%
}%
- {\CF at ifx?\CF at toks@a
- {\CF at exp@macroarg\CF at if@firsttokmatch{\CF at gobarg#1}[% un crochet apr\xE8s le "?"
- {\expandafter\CF at grab@optarg\CF at gobarg#1\@nil\CF at after@hook}%
- {\expandafter\CF at grab@optarg\expandafter[\expandafter]\CF at gobarg#1\@nil\CF at after@hook}%
- \CF at exp@twomacroargs\CF at if@instr{\CF at hook@list}{\expandafter(\CF at hook@currentname)}% crochet d\xE9j\xE0 d\xE9fini ?
- {\CF at exp@macroarg\CF at hook@parselist{\CF at hook@currentname}% chercher les caract\xE9ristiques du crochet sauvegard\xE9
- \CF at edefadd@tocs\CF at hook@drawlist{%
- [\CF at hook@currentname,\CF at hook@currentlink,\CF at hook@currenttikz]{\CF at hook@savedcoord}{n\number\CF at cnt@groupnumber-\number\CF at cnt@atomingroup}}%
- \CF at eadd@tocs\CF at hook@drawlist{\expandafter{\CF at hook@savedcontent}}%
- \CF at eadd@tocs\CF at hook@drawlist{\expandafter{\CF at current@atom}}% ajoute les 4 arguments \xE0 la liste des crochets \xE0 tracer
- \global\let\CF at hook@drawlist\CF at hook@drawlist
+ {\CF_ifx?\CF_toksa
+ {\CF_expsecond\CF_iffirsttokmatch{\CF_gobarg#1}[% un crochet apr\xE8s le "?"
+ {\expandafter\CF_graboptarg\CF_gobarg#1\_nil\CF_afterhook}%
+ {\CF_expafter{\CF_graboptarg[]}{\CF_gobarg#1}\_nil\CF_afterhook}%
+ \CF_exptwomacroargs\CF_ifinstr{\CF_hooklist}{\expandafter(\CF_hookcurrentname)}% crochet d\xE9j\xE0 d\xE9fini ?
+ {\CF_expsecond\CF_hookparselist{\CF_hookcurrentname}% chercher les caract\xE9ristiques du crochet sauvegard\xE9
+ \CF_edefaddtomacro\CF_hookdrawlist{%
+ [\CF_hookcurrentname,\CF_hookcurrentlink,\CF_hookcurrenttikz]{\CF_hooksavedcoord}{n\number\CF_cntgroup-\number\CF_cntatomgroup}}%
+ \CF_eaddtomacro\CF_hookdrawlist{\expandafter{\CF_hooksavedcontent}}%
+ \CF_eaddtomacro\CF_hookdrawlist{\expandafter{\CF_currentatom}}% ajoute les 4 arguments \xE0 la liste des crochets \xE0 tracer
+ \global\let\CF_hookdrawlist\CF_hookdrawlist
}%
- {\CF at edefadd@tocs\CF at hook@list{(\CF at hook@currentname)|n\number\CF at cnt@groupnumber-\number\CF at cnt@atomingroup|}%
- \CF at eadd@tocs\CF at hook@list{\CF at current@atom|}%
- \global\let\CF at hook@list\CF at hook@list
+ {\CF_edefaddtomacro\CF_hooklist{(\CF_hookcurrentname)|n\number\CF_cntgroup-\number\CF_cntatomgroup|}%
+ \CF_eaddtomacro\CF_hooklist{\CF_currentatom|}%
+ \global\let\CF_hooklist\CF_hooklist
}%
- \CF at exp@macroarg\CF at draw@atomgroup at bi{\CF at after@hook}%
+ \CF_expsecond\CF_drawatomgroupba{\CF_afterhook}%
}%
- {\CF at eadd@tocs\CF at current@atom{\CF at firsttonil#1\@nil}%
- \CF at exp@macroarg\CF at draw@atomgroup at bi{\CF at gobarg#1}%
+ {\CF_eaddtomacro\CF_currentatom{\CF_firsttonil#1\_nil}%
+ \CF_expsecond\CF_drawatomgroupba{\CF_gobarg#1}%
}%
}%
}%
@@ -1359,145 +1529,159 @@
}%
}
-\def\CF at kook@defaultname{a}
-\def\CF at hook@defaultlink{-}
-\def\CF at hook@defaulttikz{}
+\def\CF_kookdefaultname{a}
+\def\CF_hookdefaultlink{-}
+\def\CF_hookdefaulttikz{}
-\def\CF at hook@parseoptarg#1,#2,#3\@nil{%
- \CF at testempty@andassign\CF at hook@currentname{#1}\CF at kook@defaultname
- \CF at testempty@andassign\CF at hook@currentlink{#2}\CF at hook@defaultlink
- \CF at testempty@andassign\CF at hook@currenttikz{#3}\CF at hook@defaulttikz
+\def\CF_hookparseoptarg#1,#2,#3\_nil{%
+ \CF_testemptyandassign\CF_hookcurrentname{#1}\CF_kookdefaultname
+ \CF_testemptyandassign\CF_hookcurrentlink{#2}\CF_hookdefaultlink
+ \CF_testemptyandassign\CF_hookcurrenttikz{#3}\CF_hookdefaulttikz
}
-\def\CF at grab@optarg[#1]#2\@nil#3{%
- \CF at hook@parseoptarg#1,,\@nil
+\def\CF_graboptarg[#1]#2\_nil#3{%
+ \CF_hookparseoptarg#1,,\_nil
\def#3{#2}%
}
-\def\CF at hook@parselist#1{% #1 est le nom du noeud \xE0 retrouver
- \def\CF at hook@parselist at a##1(#1)|##2|##3|##4\@nil{\def\CF at hook@savedcoord{##2}\def\CF at hook@savedcontent{##3}}%
- \expandafter\CF at hook@parselist at a\CF at hook@list\@nil
+\def\CF_hookparselist#1{% #1 est le nom du noeud \xE0 retrouver
+ \def\CF_hookparselista##1(#1)|##2|##3|##4\_nil{\def\CF_hooksavedcoord{##2}\def\CF_hooksavedcontent{##3}}%
+ \expandafter\CF_hookparselista\CF_hooklist\_nil
}
-\def\CF at remove@hook#1{%
- \CF at exp@macroarg\CF at if@instr{#1}?%
- {\expandafter\CF at remove@hook at a\expandafter\relax#1\@nil#1%
- \CF at remove@hook#1%
+\def\CF_removehook#1{%
+ \CF_expsecond\CF_ifinstr{#1}?%
+ {\CF_expafter{\CF_removehooka\relax}#1\_nil#1%
+ \CF_removehook#1%
}
{}%
}
-\def\CF at remove@hook at a#1?#2\@nil#3{%
- \CF at if@firsttokmatch{#2}[%
- {\CF at remove@hook at b#1?#2\@nil#3}
- {\CF at exp@second{\def#3}{\CF at gobarg#1#2}}%
+\def\CF_removehooka#1?#2\_nil#3{%
+ \CF_iffirsttokmatch{#2}[%
+ {\CF_removehookb#1?#2\_nil#3}
+ {\CF_expsecond{\def#3}{\CF_gobarg#1#2}}%
}
-\def\CF at remove@hook at b#1?[#2]#3\@nil#4{\CF at exp@second{\def#4}{\CF at gobarg#1#3}}
+\def\CF_removehookb#1?[#2]#3\_nil#4{\CF_expsecond{\def#4}{\CF_gobarg#1#3}}
-\def\Lewis{\CF at testopt{\CF at lewis@a{}}{1}}
+\def\Lewis{%
+ \CF_lewisoverlayfalse
+ \CF_testopt\CF_lewisa{}%
+}
-\def\lewis{\CF at testopt{\CF at lewis@a{,overlay}}{1}}
+\def\lewis{%
+ \CF_lewisoverlaytrue
+ \CF_testopt\CF_lewisa{}%
+}
-\def\CF at lewis@a#1[#2]{%
- \CF at valuetomacro\CF at lewis@widthdouble[0.3ex]{lewis | width}%
- \CF at valuetomacro\CF at lewis@offset[0.4ex]{lewis sep}%
- \CF at valuetomacro\CF at lewis@length[1.5ex]{lewis length}%
- \CF at valuetomacro\CF at lewis@style[]{lewis style}%
- \CF at valuetomacro\CF at lewis@dist[0.3em]{lewis dist}%
- \CF at valuetomacro\CF at lewis@radius[0.15ex]{lewis radius}%
- \CF at ifempty{#2}{\def\CF at lewis@diagcoeff{1}}{\def\CF at lewis@diagcoeff{#2}}%
- \CF at lewis@b{#1}%
+\def\CF_lewisa[#1]{%
+ \begingroup
+ \CF_doifnotempty{#1}{\setchemfig{#1}}%
+ \CF_valuetomacro\CF_lewiswidthdouble[0.3ex]{lewis | width}%
+ \CF_valuetomacro\CF_lewisoffset [0.4ex]{lewis sep}%
+ \CF_valuetomacro\CF_lewislength [1.5ex]{lewis length}%
+ \CF_valuetomacro\CF_lewisstyle []{lewis style}%
+ \CF_valuetomacro\CF_lewisdist [0.3em]{lewis dist}%
+ \CF_valuetomacro\CF_lewisradius [0.15ex]{lewis radius}%
+ \CF_valuetomacro\CF_lewisdiagcoeff [1]{lewis diag coeff}%
+ \ifCF_lewisoverlay
+ \CF_addtomacro\CF_lewisstyle{,overlay}%
+ \fi
+ \CF_lewisb
}
-\def\CF at lewis@b#1#2{\CF at lewis@c#2\@nil{#1}}
+\def\CF_lewisb#1{%
+ \CF_lewisc#1\_nil
+ \endgroup
+}
-\def\CF at lewis@c#1,#2\@nil#3{%
- \setbox\CF at lewis@box\hbox{\printatom{#2}}% mettre en dehors de tikzpicture (si \printatom ne passe pas en mode math)
- \tikzpicture[every node/.style={anchor=base,inner sep=\z@,outer sep=\z@,minimum size=\z@},baseline]%
- \CF at makeother;\CF at makeother:%
- \node(CF at lewis@anchor){};
- \def\CF at lewis@remainpos{#1}%
- \let\CF at lewis@previouspos\empty
+\def\CF_lewisc#1,#2\_nil{%
+ \setbox\CF_boxlewis\hbox{\printatom{#2}}% mettre en dehors de tikzpicture (si \printatom ne passe pas en mode math)
+ \tikzpicture[every node/.style={anchor=base,inner sep=0pt,outer sep=0pt,minimum size=0pt},baseline]%
+ \CF_makeother;\CF_makeother:%
+ \node(CF_lewis at anchor){};
+ \def\CF_lewisremainpos{#1}%
+ \let\CF_lewispreviouspos\empty
\loop
- \unless\ifx\CF at lewis@remainpos\empty
- \edef\CF at lewis@currentpos{\expandafter\CF at firsttonil\CF at lewis@remainpos\@nil}%
- \edef\CF at lewis@remainpos{\expandafter\CF at gobarg\CF at lewis@remainpos}%
- \pgfmathsetmacro\CF at lewis@x{\wd\CF at lewis@box/2+\ifcase\CF at lewis@currentpos\space1\or1\or0\or-1\or-1\or-1\or0\or1\fi*(\wd\CF at lewis@box/2)}%
- \pgfmathsetmacro\CF at lewis@y{\ht\CF at lewis@box/2+\ifcase\CF at lewis@currentpos\space0\or1\or1\or1\or0\or-1\or-1\or-1\fi*(\ht\CF at lewis@box/2\ifnum\CF at lewis@currentpos>4 +\dp\CF at lewis@box\fi)}%
- \edef\CF at lewis@xoffset{\ifcase\CF at lewis@currentpos\space1\or0.70711\or0\or-0.70711\or-1\or-0.70711\or0\or0.70711\fi}%
- \edef\CF at lewis@yoffset{\ifcase\CF at lewis@currentpos\space0\or0.70711\or1\or0.70711\or0\or-0.70711\or-1\or-0.70711\fi}%
- \ifodd\CF at lewis@currentpos\relax
- \pgfmathsetmacro\CF at lewis@current at offset{\CF at lewis@offset*\CF at lewis@diagcoeff}%%
+ \unless\ifx\CF_lewisremainpos\empty
+ \edef\CF_lewiscurrentpos{\expandafter\CF_firsttonil\CF_lewisremainpos\_nil}%
+ \edef\CF_lewisremainpos{\expandafter\CF_gobarg\CF_lewisremainpos}%
+ \pgfmathsetmacro\CF_lewisx{\wd\CF_boxlewis/2+\ifcase\CF_lewiscurrentpos\space1\or1\or0\or-1\or-1\or-1\or0\or1\fi*(\wd\CF_boxlewis/2)}%
+ \pgfmathsetmacro\CF_lewisy{\ht\CF_boxlewis/2+\ifcase\CF_lewiscurrentpos\space0\or1\or1\or1\or0\or-1\or-1\or-1\fi*(\ht\CF_boxlewis/2\ifnum\CF_lewiscurrentpos>4 +\dp\CF_boxlewis\fi)}%
+ \edef\CF_lewisxoffset{\ifcase\CF_lewiscurrentpos\space1\or0.70711\or0\or-0.70711\or-1\or-0.70711\or0\or0.70711\fi}%
+ \edef\CF_lewisyoffset{\ifcase\CF_lewiscurrentpos\space0\or0.70711\or1\or0.70711\or0\or-0.70711\or-1\or-0.70711\fi}%
+ \ifodd\CF_lewiscurrentpos\relax
+ \pgfmathsetmacro\CF_lewiscurrentoffset{\CF_lewisoffset*\CF_lewisdiagcoeff}%%
\else
- \let\CF at lewis@current at offset\CF at lewis@offset
+ \let\CF_lewiscurrentoffset\CF_lewisoffset
\fi
- \if.\expandafter\CF at firsttonil\CF at lewis@remainpos\relax\@nil
- \edef\CF at lewis@remainpos{\expandafter\CF at gobarg\CF at lewis@remainpos}%
- \CF at exp@after{\draw[fill,black,}{\CF at lewis@style#3]}%
- (\CF at lewis@x pt+\CF at lewis@xoffset*\CF at lewis@current at offset,\CF at lewis@y pt+\CF at lewis@yoffset*\CF at lewis@current at offset)circle(\CF at lewis@radius);%
+ \if.\expandafter\CF_firsttonil\CF_lewisremainpos\relax\_nil
+ \edef\CF_lewisremainpos{\expandafter\CF_gobarg\CF_lewisremainpos}%
+ \CF_expafter{\draw[fill,black,}{\CF_lewisstyle]}%
+ (\CF_lewisx pt+\CF_lewisxoffset*\CF_lewiscurrentoffset,\CF_lewisy pt+\CF_lewisyoffset*\CF_lewiscurrentoffset)circle(\CF_lewisradius);%
\else
- \if|\expandafter\CF at firsttonil\CF at lewis@remainpos\relax\@nil
- \edef\CF at lewis@remainpos{\expandafter\CF at gobarg\CF at lewis@remainpos}%
- \pgfmathsetmacro\CF at lewis@x{\CF at lewis@x pt+\CF at lewis@xoffset*\CF at lewis@current at offset}%
- \pgfmathsetmacro\CF at lewis@y{\CF at lewis@y pt+\CF at lewis@yoffset*\CF at lewis@current at offset}%
- \expandafter\draw\expandafter[\CF at lewis@style#3]%
- (\CF at lewis@x pt+\CF at lewis@length*\CF at lewis@yoffset/2 pt,\CF at lewis@y-\CF at lewis@length*\CF at lewis@xoffset/2 pt)--
- (\CF at lewis@x pt+\CF at lewis@length*\CF at lewis@yoffset/2 pt+\CF at lewis@xoffset*\CF at lewis@widthdouble,\CF at lewis@y-\CF at lewis@length*\CF at lewis@xoffset/2 pt+\CF at lewis@yoffset*\CF at lewis@widthdouble)--
- (\CF at lewis@x pt-\CF at lewis@length*\CF at lewis@yoffset/2 pt+\CF at lewis@xoffset*\CF at lewis@widthdouble,\CF at lewis@y+\CF at lewis@length*\CF at lewis@xoffset/2 pt+\CF at lewis@yoffset*\CF at lewis@widthdouble)--
- (\CF at lewis@x pt-\CF at lewis@length*\CF at lewis@yoffset/2 pt,\CF at lewis@y+\CF at lewis@length*\CF at lewis@xoffset/2 pt)--cycle;%
+ \if|\expandafter\CF_firsttonil\CF_lewisremainpos\relax\_nil
+ \edef\CF_lewisremainpos{\expandafter\CF_gobarg\CF_lewisremainpos}%
+ \pgfmathsetmacro\CF_lewisx{\CF_lewisx pt+\CF_lewisxoffset*\CF_lewiscurrentoffset}%
+ \pgfmathsetmacro\CF_lewisy{\CF_lewisy pt+\CF_lewisyoffset*\CF_lewiscurrentoffset}%
+ \CF_expafter{\draw[}\CF_lewisstyle]%
+ (\CF_lewisx pt+\CF_lewislength*\CF_lewisyoffset/2 pt,\CF_lewisy-\CF_lewislength*\CF_lewisxoffset/2 pt)--
+ (\CF_lewisx pt+\CF_lewislength*\CF_lewisyoffset/2 pt+\CF_lewisxoffset*\CF_lewiswidthdouble,\CF_lewisy-\CF_lewislength*\CF_lewisxoffset/2 pt+\CF_lewisyoffset*\CF_lewiswidthdouble)--
+ (\CF_lewisx pt-\CF_lewislength*\CF_lewisyoffset/2 pt+\CF_lewisxoffset*\CF_lewiswidthdouble,\CF_lewisy+\CF_lewislength*\CF_lewisxoffset/2 pt+\CF_lewisyoffset*\CF_lewiswidthdouble)--
+ (\CF_lewisx pt-\CF_lewislength*\CF_lewisyoffset/2 pt,\CF_lewisy+\CF_lewislength*\CF_lewisxoffset/2 pt)--cycle;%
\else
- \if:\expandafter\CF at firsttonil\CF at lewis@remainpos\relax\@nil
- \edef\CF at lewis@remainpos{\expandafter\CF at gobarg\CF at lewis@remainpos}%
- \pgfmathsetmacro\CF at lewis@x{\CF at lewis@x pt+\CF at lewis@xoffset*\CF at lewis@current at offset}%
- \pgfmathsetmacro\CF at lewis@y{\CF at lewis@y pt+\CF at lewis@yoffset*\CF at lewis@current at offset}%
- \CF at exp@after{\draw[fill,black,}{\CF at lewis@style#3]}%
- (\CF at lewis@x pt+\CF at lewis@dist*\CF at lewis@yoffset/2 pt,\CF at lewis@y-\CF at lewis@dist*\CF at lewis@xoffset/2 pt)circle(\CF at lewis@radius)%
- (\CF at lewis@x pt-\CF at lewis@dist*\CF at lewis@yoffset/2 pt,\CF at lewis@y+\CF at lewis@dist*\CF at lewis@xoffset/2 pt)circle(\CF at lewis@radius);%
+ \if:\expandafter\CF_firsttonil\CF_lewisremainpos\relax\_nil
+ \edef\CF_lewisremainpos{\expandafter\CF_gobarg\CF_lewisremainpos}%
+ \pgfmathsetmacro\CF_lewisx{\CF_lewisx pt+\CF_lewisxoffset*\CF_lewiscurrentoffset}%
+ \pgfmathsetmacro\CF_lewisy{\CF_lewisy pt+\CF_lewisyoffset*\CF_lewiscurrentoffset}%
+ \CF_expafter{\draw[fill,black,}{\CF_lewisstyle]}%
+ (\CF_lewisx pt+\CF_lewisdist*\CF_lewisyoffset/2 pt,\CF_lewisy-\CF_lewisdist*\CF_lewisxoffset/2 pt)circle(\CF_lewisradius)%
+ (\CF_lewisx pt-\CF_lewisdist*\CF_lewisyoffset/2 pt,\CF_lewisy+\CF_lewisdist*\CF_lewisxoffset/2 pt)circle(\CF_lewisradius);%
\else
- \pgfmathsetmacro\CF at lewis@x{\CF at lewis@x pt+\CF at lewis@xoffset*\CF at lewis@current at offset}%
- \pgfmathsetmacro\CF at lewis@y{\CF at lewis@y pt+\CF at lewis@yoffset*\CF at lewis@current at offset}%
- \expandafter\draw\expandafter[\CF at lewis@style#3]%
- (\CF at lewis@x pt+\CF at lewis@length*\CF at lewis@yoffset/2 pt,\CF at lewis@y-\CF at lewis@length*\CF at lewis@xoffset/2 pt)--%
- (\CF at lewis@x pt-\CF at lewis@length*\CF at lewis@yoffset/2 pt,\CF at lewis@y+\CF at lewis@length*\CF at lewis@xoffset/2 pt);%
+ \pgfmathsetmacro\CF_lewisx{\CF_lewisx pt+\CF_lewisxoffset*\CF_lewiscurrentoffset}%
+ \pgfmathsetmacro\CF_lewisy{\CF_lewisy pt+\CF_lewisyoffset*\CF_lewiscurrentoffset}%
+ \CF_expafter{\draw[}\CF_lewisstyle]%
+ (\CF_lewisx pt+\CF_lewislength*\CF_lewisyoffset/2 pt,\CF_lewisy-\CF_lewislength*\CF_lewisxoffset/2 pt)--%
+ (\CF_lewisx pt-\CF_lewislength*\CF_lewisyoffset/2 pt,\CF_lewisy+\CF_lewislength*\CF_lewisxoffset/2 pt);%
\fi
\fi
- \fi
+ \fi
\repeat
- \node[anchor=base west]at(CF at lewis@anchor){\box\CF at lewis@box};%
+ \node[anchor=base west]at(CF_lewis at anchor){\box\CF_boxlewis};%
\endtikzpicture
}
-\def\Chembelow{\begingroup\let\CF at tmp@str\CF at gobarg\CF at chembelow@a}
+\def\Chembelow{\begingroup\let\CF_temp\CF_gobarg\CF_chembelowa}
-\def\chembelow{\begingroup\let\CF at tmp@str\CF at id\CF at chembelow@a}
+\def\chembelow{\begingroup\let\CF_temp\CF_id\CF_chembelowa}
-\def\CF at chembelow@a{\CF at testopt\CF at chembelow@b\CF at stacksep}
+\def\CF_chembelowa{\CF_testopt\CF_chembelowb\CF_stacksep}
-\def\CF at chembelow@b[#1]#2#3{%
- \setbox\CF at box@boxa\hbox{\printatom{#2}}%
- \expandafter\vtop\CF at tmp@str{to\ht\CF at box@boxa}{%
+\def\CF_chembelowb[#1]#2#3{%
+ \setbox\CF_box\hbox{\printatom{#2}}%
+ \expandafter\vtop\CF_temp{to\ht\CF_box}{%
\offinterlineskip
\hbox{\printatom{#2}}%
\kern#1\relax
- \hbox to\wd\CF at box@boxa{\hss\printatom{#3}\hss}%
- \CF at tmp@str\vss
+ \hbox to\wd\CF_box{\hss\printatom{#3}\hss}%
+ \CF_temp\vss
}%
\endgroup
}
-\def\Chemabove{\begingroup\let\CF at tmp@str\CF at gobarg\CF at chemabove@a}
+\def\Chemabove{\begingroup\let\CF_temp\CF_gobarg\CF_chemabovea}
-\def\chemabove{\begingroup\let\CF at tmp@str\CF at id\CF at chemabove@a}
+\def\chemabove{\begingroup\let\CF_temp\CF_id\CF_chemabovea}
-\def\CF at chemabove@a{\CF at testopt\CF at chemabove@b\CF at stacksep}
+\def\CF_chemabovea{\CF_testopt\CF_chemaboveb\CF_stacksep}
-\def\CF at chemabove@b[#1]#2#3{%
- \setbox\CF at box@boxa\hbox{\printatom{#2}}%
- \expandafter\vbox\CF at tmp@str{to\ht\CF at box@boxa}{%
+\def\CF_chemaboveb[#1]#2#3{%
+ \setbox\CF_box\hbox{\printatom{#2}}%
+ \expandafter\vbox\CF_temp{to\ht\CF_box}{%
\offinterlineskip
- \CF at tmp@str\vss
- \hbox to\wd\CF at box@boxa{\hss\printatom{#3}\hss}%
+ \CF_temp\vss
+ \hbox to\wd\CF_box{\hss\printatom{#3}\hss}%
\kern#1\relax
\hbox{\printatom{#2}}%
}%
@@ -1504,13 +1688,14 @@
\endgroup
}
-\def\chemmove{\CF at testopt\CF at chemmove{}}
+\def\chemmove{\CF_testopt\CF_chemmove{}}
-\def\CF at chemmove[#1]#2{%
- \CF at doifnotempty{#2}%
- {\expandafter\tikzpicture\romannumeral\CF at ifempty{#1}%
- {\z@[overlay,remember picture,-CF]}
- {\z@[overlay,remember picture,-CF,#1]}%
+\def\CF_chemmove[#1]#2{%
+ \CF_doifnotempty{#2}%
+ {\expandafter\tikzpicture\romannumeral
+ \CF_ifempty{#1}%
+ {\CF_zero[overlay,remember picture,-CF]}
+ {\CF_zero[overlay,remember picture,-CF,#1]}%
#2
\endtikzpicture
}%
@@ -1517,34 +1702,34 @@
}
\def\chemnameinit#1{%
- \setbox\CF at stuff@box\hbox{#1}%
- \xdef\CF at dp@max{\the\dp\CF at stuff@box}%
+ \setbox\CF_boxstuff\hbox{#1}%
+ \xdef\CF_dpmax{\the\dp\CF_boxstuff}%
}
-\let\CF at dp@max\z@
+\let\CF_dpmax\CF_zero
-\def\CF at parse@molname#1\\#2\@nil{%
- \hbox to\CF at wd@stuffbox{\hss#1\hss}%
- \CF at doifnotempty{#2}{\CF at parse@molname#2\@nil}%
+\def\CF_parsemolname#1\\#2\_nil{%
+ \hbox to\CF_wdstuffbox{\hss#1\hss}%
+ \CF_doifnotempty{#2}{\CF_parsemolname#2\_nil}%
}
\def\chemname{%
- \CF at ifstar
- {\CF at name@dp at adjustfalse\CF at chemname@a}
- {\CF at name@dp at adjusttrue \CF at chemname@a}%
+ \CF_ifstar
+ {\CF_adjustnamedpfalse\CF_chemnamea}
+ {\CF_adjustnamedptrue \CF_chemnamea}%
}
-\def\CF at chemname@a{\CF at testopt\CF at chemname@b{1.5ex}}
+\def\CF_chemnamea{\CF_testopt\CF_chemnameb{1.5ex}}
-\def\CF at chemname@b[#1]#2#3{%
- \setbox\CF at stuff@box\hbox{#2}%
- \edef\CF at wd@stuffbox{\the\wd\CF at stuff@box}\edef\CF at dp@stuffbox{\the\dp\CF at stuff@box}%
+\def\CF_chemnameb[#1]#2#3{%
+ \setbox\CF_boxstuff\hbox{#2}%
+ \edef\CF_wdstuffbox{\the\wd\CF_boxstuff}\edef\CF_dpstuffbox{\the\dp\CF_boxstuff}%
\leavevmode
- \ifdim\CF at dp@max<\CF at dp@stuffbox\global\let\CF at dp@max\CF at dp@stuffbox\fi
+ \ifdim\CF_dpmax<\CF_dpstuffbox\global\let\CF_dpmax\CF_dpstuffbox\fi
\vtop{%
- \box\CF at stuff@box
+ \box\CF_boxstuff
\nointerlineskip
- \kern\dimexpr#1\ifCF at name@dp at adjust+\CF at dp@max-\CF at dp@stuffbox\fi\relax
- \CF at parse@molname#3\\\@nil
+ \kern\dimexpr#1\ifCF_adjustnamedp+\CF_dpmax-\CF_dpstuffbox\fi\relax
+ \CF_parsemolname#3\\\_nil
}%
}
@@ -1551,430 +1736,479 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%% S C H \xC9 M A S R \xC9 A C T I O N N E L S %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\let\CF at scheme@nest\z@
+\let\CF_schemenest\CF_zero
-\def\CF at subscheme{\CF at testopt\CF at subscheme@a{}}
-\def\CF at subscheme@a[#1]{\CF at testopt{\CF at subscheme@b[#1]}{text}}
-\def\CF at subscheme@b[#1][#2]#3{\schemestart[#1][#2]#3\schemestop}
+\def\CF_subscheme{\CF_testopt\CF_subschemea{}}
+\def\CF_subschemea[#1]{\CF_testopt{\CF_subschemeb[#1]}{text}}
+\def\CF_subschemeb[#1][#2]#3{\schemestart[#1][#2]#3\schemestop}
\def\chemleft#1#2\chemright#3{%
\leavevmode
\begingroup
- \setbox\z@\hbox{$\vcenter{\hbox{}}$}\edef\CF at delim@math at ht{\the\ht\z@}%
- \setbox\z@\hbox{#2}\edef\CF at delim@dim{\the\dimexpr(\ht\z at +\dp\z@)/\tw@}%
- \edef\CF at delim@shift{\the\dimexpr(\ht\z at -\dp\z@)/\tw at -\CF at delim@math at ht}%
- \raise\CF at delim@shift\hbox{$\left#1\vrule height\CF at delim@dim depth\CF at delim@dim width\z@\right.$}\box\z@
- \raise\CF at delim@shift\hbox{$\left.\vrule height\CF at delim@dim depth\CF at delim@dim width\z@\right#3$}%
+ \setbox0\hbox{$\vcenter{\hbox{}}$}\edef\CF_delimmathht{\the\ht0}%
+ \setbox0\hbox{#2}\edef\CF_delimdim{\the\dimexpr(\ht0+\dp0)/2}%
+ \edef\CF_delimshift{\the\dimexpr(\ht0-\dp0)/2-\CF_delimmathht}%
+ \raise\CF_delimshift\hbox{$\left#1\vrule height\CF_delimdim depth\CF_delimdim width0pt\right.$}\box0
+ \raise\CF_delimshift\hbox{$\left.\vrule height\CF_delimdim depth\CF_delimdim width0pt\right#3$}%
\endgroup
}
\def\chemright#1{%
- \immediate\write-1{Package \CFname\space Warning: "\string\chemright\string#1"ignored! No \string\chemleft\space previously found.^^J}%
+ \CF_warning{"\string\chemright\string#1" ignored! No \string\chemleft\space previously found.}%
}
\def\chemup#1#2\chemdown#3{%
\begingroup
- \setbox\z@\hbox{\printatom{#2}}\edef\CF at delim@dim{\the\dimexpr\wd\z@/\tw@}%
- \tikzpicture[every node/.style={inner sep=\z@,outer sep=\z@,minimum size=\z@},baseline]%
- \node[anchor=base west](chem at stuff){\box\z@};%
- \node[at=(chem at stuff.north),anchor=east,rotate=-90]{$\left#1\vrule height\CF at delim@dim depth\CF at delim@dim width\z@\right.$};%
- \node[at=(chem at stuff.south),anchor=west,rotate=-90]{$\left.\vrule height\CF at delim@dim depth\CF at delim@dim width\z@\right#3$};%
+ \setbox0\hbox{\printatom{#2}}\edef\CF_delimdim{\the\dimexpr\wd0/2}%
+ \tikzpicture[every node/.style={inner sep=0pt,outer sep=0pt,minimum size=0pt},baseline]%
+ \node[anchor=base west](chem at stuff){\box0};%
+ \node[at=(chem at stuff.north),anchor=east,rotate=-90]{$\left#1\vrule height\CF_delimdim depth\CF_delimdim width0pt\right.$};%
+ \node[at=(chem at stuff.south),anchor=west,rotate=-90]{$\left.\vrule height\CF_delimdim depth\CF_delimdim width0pt\right#3$};%
\endtikzpicture
\endgroup
}
\def\chemdown#1{%
- \immediate\write-1{Package \CFname\space Warning: "\string\chemdown\string#1" ignored! No \string\chemup\space previously found.^^J}%
+ \CF_warning{"\string\chemdown\string#1" ignored! No \string\chemup\space previously found.}%
}
-\def\CF at set@style#1,#2,#3\@nil#4#5#6{%
+\def\CF_setstyle#1,#2,#3\_nil#4#5#6{%
\def#4{#1}\let#5\empty\let#6\empty
- \CF at if@firsttokmatch\CF at quark{#2\relax}
+ \CF_iffirsttokmatch\CF_quark{#2\relax}
{}%
{\def#5{#2}%
- \CF at if@firsttokmatch\CF at quark{#3\relax}
+ \CF_iffirsttokmatch\CF_quark{#3\relax}
{}%
- {\CF at set@style at a#3\@nil#6}%
+ {\CF_setstylea#3\_nil#6}%
}%
}
-\def\CF at set@style at a#1,\CF at quark#2\@nil#3{\def#3{#1}}
+\def\CF_setstylea#1,\CF_quark#2\_nil#3{\def#3{#1}}
-\def\CF at and{\futurelet\CF at toks@a\CF at and@a}
+\def\CF_and{\futurelet\CF_toksa\CF_anda}
-\def\CF at and@a{%
- \CF at ifx\CF at toks@a\bgroup
- \CF at and@b
- {\CF at and@b{}}%
+\def\CF_anda{%
+ \CF_ifx\CF_toksa\bgroup
+ {\CF_andb}
+ {\CF_andb{}}%
}
-\def\CF at and@b#1{%
- \CF at set@style#1,\CF at quark,\CF at quark\@nil\CF at signspace@ante\CF at signspace@post\CF at sign@vshift
- \CF at doifempty\CF at signspace@ante{\CF at valuetomacro\CF at signspace@ante[0.5em]{+ sep left}}%
- \CF at doifempty\CF at signspace@post{\CF at valuetomacro\CF at signspace@post[0.5em]{+ sep right}}%
- \CF at doifempty\CF at sign@vshift{\CF at valuetomacro\CF at sign@vshift[0pt]{+ vshift}}%
- \raise\CF at sign@vshift\hbox{\kern\CF at signspace@ante$+$\kern\CF at signspace@post}%
+\def\CF_andb#1{%
+ \CF_setstyle#1,\CF_quark,\CF_quark\_nil\CF_signspaceante\CF_signspacepost\CF_signvshift
+ \CF_doifempty\CF_signspaceante{\CF_valuetomacro\CF_signspaceante[0.5em]{+ sep left}}%
+ \CF_doifempty\CF_signspacepost{\CF_valuetomacro\CF_signspacepost[0.5em]{+ sep right}}%
+ \CF_doifempty\CF_signvshift{\CF_valuetomacro\CF_signvshift[0pt]{+ vshift}}%
+ \raise\CF_signvshift\hbox{\kern\CF_signspaceante$+$\kern\CF_signspacepost}%
}
\def\schemestart{%
- \xdef\CF at scheme@nest{\number\numexpr\CF at scheme@nest+\@ne}%
- \CF at testopt\CF at schemestart@a{}%
+ \begingroup
+ \xdef\CF_schemenest{\number\numexpr\CF_schemenest+1}%
+ \CF_testopt\CF_schemestarta{}%
}
-\def\CF at schemestart@a[#1]{%
- \CF at valuetomacro\default at compound@style[]{compound style}%
- \CF at set@style#1,\CF at quark,\CF at quark\@nil\CF at arrow@angle\CF at arrow@length\CF at arrow@style
- \CF at doifempty\CF at arrow@angle{\CF at valuetomacro\CF at arrow@angle[0]{arrow angle}}%
- \CF at doifempty\CF at arrow@length{\CF at valuetomacro\CF at arrow@length[1]{arrow coeff}}%
- \CF at valuetomacro\CF at default@arrow at style[]{arrow style}%
- \CF at valuetomacro\CF at arrow@offset[1em]{arrow offset}%
- \CF at valuetomacro\CF at compound@sep[5em]{compound sep}%
- \CF at valuetomacro\CF at arrow@labelsep[3pt]{arrow label sep}%
- \CF at valuetomacro\CF at arrowhead[-CF]{arrow head}%
- \CF at eexp@second{\def\CF at arrowtip}{\expandafter\CF at gobarg\CF at arrowhead}%
- \CF at eexp@second{\CF at preadd@tocs\CF at default@arrow at style}{\useKV[chemfig]{arrow head},}%
- \CF at ifx\empty\CF at arrow@style
- {\let\CF at arrow@style\CF at default@arrow at style}
- {\CF at exp@second{\CF at preadd@tocs\CF at arrow@style}{\CF at default@arrow at style,}}% se rajoute apr\xE8s le style par d\xE9faut
- \CF at valuetomacro\CF at arrow@double at sep[2pt]{arrow double sep}%
- \pgfmathsetmacro\CF at arrow@double at sep{\CF at arrow@double at sep/2}%
- \CF at valuetomacro\CF at arrow@double at pos@start[0.6]{arrow double coeff}%
- \pgfmathsetmacro\CF at arrow@double at pos@start{(1-\CF at arrow@double at pos@start)/2}%
- \pgfmathsetmacro\CF at arrow@double at pos@end{1-\CF at arrow@double at pos@start}%
+\def\CF_schemestarta[#1]{%
+ \CF_valuetomacro\CF_defaultcompoundstyle[]{compound style}%
+ \CF_setstyle#1,\CF_quark,\CF_quark\_nil\CF_arrowangle\CF_arrowlength\CF_arrowstyle
+ \CF_doifempty\CF_arrowangle{\CF_valuetomacro\CF_arrowangle[0]{arrow angle}}%
+ \CF_doifempty\CF_arrowlength{\CF_valuetomacro\CF_arrowlength[1]{arrow coeff}}%
+ \CF_valuetomacro\CF_defaultarrowstyle[]{arrow style}%
+ \CF_valuetomacro\CF_arrowoffset[1em]{arrow offset}%
+ \CF_valuetomacro\CF_compoundsep[5em]{compound sep}%
+ \CF_valuetomacro\CF_arrowlabelsep[3pt]{arrow label sep}%
+ \CF_valuetomacro\CF_arrowhead[-CF]{arrow head}%
+ \CF_eexpsecond{\def\CF_arrowtip}{\expandafter\CF_gobarg\CF_arrowhead}%
+ \CF_eexpsecond{\CF_preaddtomacro\CF_defaultarrowstyle}{\useKV[chemfig]{arrow head},}%
+ \CF_ifx\empty\CF_arrowstyle
+ {\let\CF_arrowstyle\CF_defaultarrowstyle}
+ {\CF_expsecond{\CF_preaddtomacro\CF_arrowstyle}{\CF_defaultarrowstyle,}}% se rajoute apr\xE8s le style par d\xE9faut
+ \CF_valuetomacro\CF_arrowdoublesep[2pt]{arrow double sep}%
+ \pgfmathsetmacro\CF_arrowdoublesep{\CF_arrowdoublesep/2}%
+ \CF_valuetomacro\CF_arrowdoubleposstart[0.6]{arrow double coeff}%
+ \pgfmathsetmacro\CF_arrowdoubleposstart{(1-\CF_arrowdoubleposstart)/2}%
+ \pgfmathsetmacro\CF_arrowdoubleposend{1-\CF_arrowdoubleposstart}%
\ifboolKV[chemfig]{scheme debug}
- {\tikzpicture[every node/.style={draw,anchor=base,inner sep=\z@,outer sep=\z@,minimum size=1.5pt},baseline,remember picture]%
- }
- {\tikzpicture[every node/.style={anchor=base,inner sep=\z@,outer sep=\z@,minimum size=\z@},baseline,remember picture]%
- }%
- \let\merge\CF at merge
- \expandafter\let\csname+\endcsname\CF at and
- \let\arrow\CF at arrow
- \let\schemestop\CF at schemestop
- \let\subscheme\CF at subscheme
- \CF at testopt{\CF at schemestart@b[#1]}{text}%
+ {\tikzpicture[every node/.style={draw,anchor=base,inner sep=0pt,outer sep=0pt,minimum size=1.5pt},baseline,remember picture]}
+ {\tikzpicture[every node/.style={anchor=base,inner sep=0pt,outer sep=0pt,minimum size=0pt},baseline,remember picture]}%
+ \let\merge\CF_merge
+ \expandafter\let\csname+\endcsname\CF_and
+ \let\arrow\CF_arrow
+ \let\schemestop\CF_schemestop
+ \let\subscheme\CF_subscheme
+ \CF_testopt{\CF_schemestartb}{text}%
}
-\def\CF at schemestart@b[#1][#2]{%
- \ifnum\CF at scheme@nest=\@ne% la commande n'est pas imbriqu\xE9e ?
- \CF at compound@cnt\z@
+\def\CF_schemestartb[#1]{%
+ \ifnum\CF_schemenest=1 % la commande n'est pas imbriqu\xE9e ?
+ \CF_cntcompound0
\fi
- \edef\CF at current@nodename{c\number\CF at compound@cnt}%
- \let\CF at next@nodename\empty
- \let\CF at next@nodestyle\empty
- \let\CF at direct@arrow at list\empty
+ \edef\CF_currentnodename{c\number\CF_cntcompound}%
+ \let\CF_nextnodename\empty
+ \let\CF_nextnodestyle\empty
+ \let\CF_directarrowlist\empty
\ifboolKV[chemfig]{scheme debug}
- {\node[fill,green](\CF at current@nodename){};}
- {\node(\CF at current@nodename){};}%
- \def\CF at next@nodeanchor{#2}%
- \CF at doifempty\CF at next@nodeanchor{\def\CF at next@nodeanchor{text}}%
- \let\CF at compound\empty
- \CF at schemestart@c
+ {\node[fill,green](\CF_currentnodename){};}
+ {\node(\CF_currentnodename){};}%
+ \def\CF_nextnodeanchor{#1}%
+ \CF_doifempty\CF_nextnodeanchor{\def\CF_nextnodeanchor{text}}%
+ \let\CF_compound\empty
+ \CF_schemestartc
}
-\def\CF at schemestart@c{%
- \futurelet\CF at toks@a\CF at schemestart@e
+\def\CF_schemestartc{%
+ \futurelet\CF_toksa\CF_schemestarte
}
-\expandafter\def\expandafter\CF at schemestart@d\space{\futurelet\CF at toks@a\CF at schemestart@e}
+\expandafter\def\expandafter\CF_schemestartd\space{\futurelet\CF_toksa\CF_schemestarte}
-\def\CF at schemestart@e{% ... et l'examine :
- \CF at if@firsttokin at a{\arrow\schemestop\merge}%
+\def\CF_schemestarte{% ... et l'examine :
+ \CF_iffirsttokina{\arrow\schemestop\merge}%
{}
- {\CF at ifx\CF at toks@a\bgroup
- {\CF at add@nextarg}
- {\CF at ifx\CF at toks@a\@sptoken
- {\CF at add@tocs\CF at compound{ }%
- \CF at schemestart@d
+ {\CF_ifx\CF_toksa\bgroup
+ {\CF_addnextarg
+ }
+ {\CF_ifx\CF_toksa\CF_sptoken
+ {\CF_addtomacro\CF_compound{ }%
+ \CF_schemestartd
}
- {\afterassignment\CF at schemestart@c
- \CF at add@tocs\CF at compound
+ {\afterassignment\CF_schemestartc
+ \CF_addtomacro\CF_compound
}%
}%
}%
}
-\def\CF at add@nextarg#1{\CF at add@tocs\CF at compound{{#1}}\CF at schemestart@c}
+\def\CF_addnextarg#1{\CF_addtomacro\CF_compound{{#1}}\CF_schemestartc}
-\def\CF at display@compound#1#2{% #1 = nom et #2 = style
- \CF at doifnotempty\CF at compound
- {\global\advance\CF at compound@cnt\@ne
- \CF at ifx\default at compound@style\empty
- {\let\CF at current@nodestyle\empty}
- {\CF at exp@second{\def\CF at current@nodestyle}{\default at compound@style,}}%
- \CF at add@tocs\CF at current@nodestyle{anchor=\CF at next@nodeanchor,at=(\CF at current@nodename)}%
- \CF at ifempty{#2}%
- {\CF at doifnotempty\CF at next@nodestyle
- {\CF at eadd@tocs\CF at current@nodestyle{\expandafter,\CF at next@nodestyle}}%
+\def\CF_displaycompound#1#2{% #1 = nom et #2 = style
+ \CF_doifnotempty\CF_compound
+ {\global\advance\CF_cntcompound1
+ \CF_ifx\CF_defaultcompoundstyle\empty
+ {\let\CF_currentnodestyle\empty}
+ {\CF_expsecond{\def\CF_currentnodestyle}{\CF_defaultcompoundstyle,}}%
+ \CF_addtomacro\CF_currentnodestyle{anchor=\CF_nextnodeanchor,at=(\CF_currentnodename)}%
+ \CF_ifempty{#2}%
+ {\CF_doifnotempty\CF_nextnodestyle
+ {\CF_eaddtomacro\CF_currentnodestyle{\expandafter,\CF_nextnodestyle}}%
}
- {\CF at doifnotempty\CF at next@nodestyle
- {\immediate\write-1{Package \CFname\space Warning: two styles for the same node, first style "\CF at next@nodestyle" ignored^^J}%
+ {\CF_doifnotempty\CF_nextnodestyle
+ {\CF_warning{two styles for the same node, first style "\CF_nextnodestyle" ignored}%
}%
- \CF at add@tocs\CF at current@nodestyle{,#2}%
+ \CF_addtomacro\CF_currentnodestyle{,#2}%
}%
- \CF at ifempty{#1}
- {\edef\CF at tmp@str{\CF at ifempty\CF at next@nodename{c\number\CF at compound@cnt}{\CF at next@nodename}}%
+ \CF_ifempty{#1}
+ {\edef\CF_temp{%
+ \CF_ifempty\CF_nextnodename
+ {c\number\CF_cntcompound}
+ {\CF_nextnodename}%
+ }%
}
- {\CF at doifnotempty\CF at next@nodename
- {\immediate\write-1{Package \CFname\space Warning: two names for the same node, first name "\CF at next@nodename" ignored^^J}%
+ {\CF_doifnotempty\CF_nextnodename
+ {\CF_warning{two names for the same node, first name "\CF_nextnodename" ignored}%
}%
- \edef\CF at tmp@str{#1}%
+ \edef\CF_temp{#1}%
}%
- \expandafter\node\expandafter[\CF at current@nodestyle](\CF at tmp@str){\CF at compound};%
+ \CF_expafter{\node[}\CF_currentnodestyle](\CF_temp){\CF_compound};%
\ifboolKV[chemfig]{scheme debug}%
- {\node[draw=none,anchor=270,at=(\CF at tmp@str.90),fill=green!60,overlay,opacity=0.5]{\scriptsize\bfseries\CF at tmp@str};%
+ {\node[draw=none,anchor=270,at=(\CF_temp.90),fill=green!60,overlay,opacity=0.5]{\scriptsize\bfseries\CF_temp};%
}
{}%
- \let\CF at current@nodename\CF at tmp@str
+ \let\CF_currentnodename\CF_temp
}%
}
-\def\CF at schemestop{%
- \CF at display@compound{}{}%
- \CF at direct@arrow at list
+\def\CF_schemestop{%
+ \CF_displaycompound{}{}%
+ \CF_directarrowlist
\endtikzpicture
- \xdef\CF at scheme@nest{\number\numexpr\CF at scheme@nest-\@ne}%
+ \xdef\CF_schemenest{\number\numexpr\CF_schemenest-1}%
+ \endgroup
}
-\def\CF at analyse@arrowarg#1{\CF at analyse@arrowarg at i#1[]\@nil}
+\def\CF_analysearrowarg#1{\CF_analysearrowarga#1[]\_nil}
-\def\CF at analyse@arrowarg at i#1[#2]#3\@nil{%
- \CF at if@instr{#1}.{\CF at add@tocs\CF at tmp@str{#1[#2]}}{\CF at add@tocs\CF at tmp@str{#1.[#2]}}%
+\def\CF_analysearrowarga#1[#2]#3\_nil{%
+ \CF_ifinstr{#1}.
+ {\CF_addtomacro\CF_temp{#1[#2]}}
+ {\CF_addtomacro\CF_temp{#1.[#2]}}%
}
-\def\CF at arrow{%
- \CF at ifnextchar(%
- \CF at arrow@a
- {\CF at ifnextchar\bgroup{\CF at arrow@b(.[]--.[])}{\CF at arrow@b(.[]--.[]){}}}%
+\def\CF_arrow{%
+ \CF_ifnextchar(%
+ {\CF_arrowa
+ }
+ {\CF_ifnextchar\bgroup
+ {\CF_arrowb(.[]--.[])}
+ {\CF_arrowb(.[]--.[]){}}%
+ }%
}
-\def\CF at arrow@a(#1--#2){%
- \def\CF at tmp@str{(}%
- \CF at analyse@arrowarg{#1}%
- \CF at add@tocs\CF at tmp@str{--}%
- \CF at analyse@arrowarg{#2}%
- \CF at add@tocs\CF at tmp@str)%
- \CF at ifnextchar\bgroup{\expandafter\CF at arrow@b\CF at tmp@str}{\expandafter\CF at arrow@b\CF at tmp@str{}}%
+\def\CF_arrowa(#1--#2){%
+ \def\CF_temp{(}%
+ \CF_analysearrowarg{#1}%
+ \CF_addtomacro\CF_temp{--}%
+ \CF_analysearrowarg{#2}%
+ \CF_addtomacro\CF_temp)%
+ \CF_ifnextchar\bgroup
+ {\expandafter\CF_arrowb\CF_temp}
+ {\expandafter\CF_arrowb\CF_temp{}}%
}
-\def\CF at arrow@b(#1.#2[#3]--#4.#5[#6])#7{%
- \def\CF at current@arrowtype{#7}% nom de la fl\xE8che
- \CF at doifempty\CF at current@arrowtype{\def\CF at current@arrowtype{->}}%
- \CF at testopt{\CF at arrow@c(#1.#2[#3]--#4.#5[#6])}{}%
+\def\CF_arrowb(#1.#2[#3]--#4.#5[#6])#7{%
+ \def\CF_currentarrowtype{#7}% nom de la fl\xE8che
+ \CF_doifempty\CF_currentarrowtype{\def\CF_currentarrowtype{->}}%
+ \CF_testopt{\CF_arrowc(#1.#2[#3]--#4.#5[#6])}{}%
}
-\def\CF at arrow@c(#1.#2[#3]--#4.#5[#6])[#7]{%
- \def\CF at tmp@str{\CF at arrow@e(#1.#2[#3]--#4.#5[#6])}%
- \CF at arrow@d#7,\empty,\empty\@nil
+\def\CF_arrowc(#1.#2[#3]--#4.#5[#6])[#7]{%
+ \def\CF_temp{\CF_arrowe(#1.#2[#3]--#4.#5[#6])}%
+ \CF_arrowd#7,\empty,\empty\_nil
}
-\def\CF at arrow@d#1,#2,#3\@nil{%
- \CF at add@tocs\CF at tmp@str{{#1}}%
- \CF at eadd@tocs\CF at tmp@str{\expandafter{#2}}%
- \expandafter\CF at eadd@tocs\expandafter\CF at tmp@str\expandafter{\expandafter\expandafter\expandafter{\expandafter\CF at sanitize@lastitem#3,\empty\@nil}}%
- \CF at tmp@str
+\def\CF_arrowd#1,#2,#3\_nil{%
+ \CF_addtomacro\CF_temp{{#1}}%
+ \CF_eaddtomacro\CF_temp{\expandafter{#2}}%
+ \expandafter\CF_eaddtomacro\expandafter\CF_temp\expandafter{\expandafter\expandafter\expandafter{\expandafter\CF_sanitizelastitem#3,\empty\_nil}}%
+ \CF_temp
}
% #1, #4 : nom des nodes #2, #5 : ancres des nodes #3, #6 : styles des nodes
% #7 : angle fl\xE8che #8 : longueur fl\xE8che #9 : style tikz de la fl\xE8che
-\def\CF at arrow@e(#1.#2[#3]--#4.#5[#6])#7#8#9{%
- \let\CF at arrow@current at style\CF at arrow@style
- \if\CF at arobas\expandafter\CF at firsttonil\detokenize{#1.}\@nil% si #1 commence par @
- \if\CF at arobas\expandafter\CF at firsttonil\detokenize{#4.}\@nil
- \CF at eadd@tocs\CF at direct@arrow at list{\expandafter\CF at direct@arrow\expandafter{\CF at current@arrowtype}{#1}{#2}{#4}{#5}{#9}}%
- \let\CF at next@action\CF at schemestart@c
+\def\CF_arrowe(#1.#2[#3]--#4.#5[#6])#7#8#9{%
+ \let\CF_arrowcurrentstyle\CF_arrowstyle
+ \if @\expandafter\CF_firsttonil\detokenize{#1.}\_nil% si #1 commence par @
+ \if @\expandafter\CF_firsttonil\detokenize{#4.}\_nil
+ \CF_eaddtomacro\CF_directarrowlist{\expandafter\CF_directarrow\expandafter{\CF_currentarrowtype}{#1}{#2}{#4}{#5}{#9}}%
+ \let\CF_nextaction\CF_schemestartc
\else
- \CF at doifnotempty\CF at arrow@current at style{\CF at add@tocs\CF at arrow@current at style,}%
- \CF at doifnotempty{#9}{\CF at add@tocs\CF at arrow@current at style{#9,}}%
- \CF at display@compound{}{#3}%
- \def\CF at next@nodename{#4}%
- \CF at exp@second{\def\CF at current@nodename}{\CF at gobarg#1}%
- \let\CF at arrow@start at name\CF at current@nodename
- \let\CF at arrow@end at name\CF at next@nodename
- \CF at arrow@f{#7}{#8}{#2}{#5}%
- \def\CF at next@nodestyle{#6}%
+ \CF_doifnotempty\CF_arrowcurrentstyle{\CF_addtomacro\CF_arrowcurrentstyle,}%
+ \CF_doifnotempty{#9}{\CF_addtomacro\CF_arrowcurrentstyle{#9,}}%
+ \CF_displaycompound{}{#3}%
+ \def\CF_nextnodename{#4}%
+ \CF_expsecond{\def\CF_currentnodename}{\CF_gobarg#1}%
+ \let\CF_arrowstartname\CF_currentnodename
+ \let\CF_arrowendname\CF_nextnodename
+ \CF_arrowf{#7}{#8}{#2}{#5}%
+ \def\CF_nextnodestyle{#6}%
\fi
\else
- \CF at doifnotempty\CF at arrow@current at style{\CF at add@tocs\CF at arrow@current at style,}%
- \CF at doifnotempty{#9}{\CF at add@tocs\CF at arrow@current at style{#9,}}%
- \if\CF at arobas\expandafter\CF at firsttonil\detokenize{#2.}\@nil
- \errmessage{Package \CFname\space Error: syntax "(<name>--@<name>)" is not allowed}%
+ \CF_doifnotempty\CF_arrowcurrentstyle{\CF_addtomacro\CF_arrowcurrentstyle,}%
+ \CF_doifnotempty{#9}{\CF_addtomacro\CF_arrowcurrentstyle{#9,}}%
+ \if @\expandafter\CF_firsttonil\detokenize{#2.}\_nil
+ \CF_error{syntax "(<name>--@<name>)" is not allowed}%
\else
- \CF at display@compound{#1}{#3}%
- \edef\CF at arrow@start at name{\CF at ifempty{#1}\CF at current@nodename{#1}\CF at doifnotempty{#2}{.#2}}%
- \CF at arrow@f{#7}{#8}{#2}{#5}%
- \def\CF at next@nodename{#4}%
- \def\CF at next@nodestyle{#6}%
+ \CF_displaycompound{#1}{#3}%
+ \edef\CF_arrowstartname{%
+ \CF_ifempty{#1}
+ \CF_currentnodename
+ {#1}%
+ \CF_doifnotempty{#2}{.#2}%
+ }%
+ \CF_arrowf{#7}{#8}{#2}{#5}%
+ \def\CF_nextnodename{#4}%
+ \def\CF_nextnodestyle{#6}%
\fi
\fi
- \CF at arrow@gobspaces% mange les espaces puis ex\xE9cute \CF at next@action
+ \CF_arrowgobspaces% mange les espaces puis ex\xE9cute \CF_nextaction
}
-\def\CF at arrow@gobspaces{\futurelet\CF at toks@a\CF at arrow@gobspaces at a}
+\def\CF_arrowgobspaces{\futurelet\CF_toksa\CF_arrowgobspacesa}
-\def\CF at arrow@gobspaces at a{%
- \CF at ifx\@sptoken\CF at toks@a
- \CF at arrow@gobspaces at b
- \CF at next@action
+\def\CF_arrowgobspacesa{%
+ \CF_ifx\CF_sptoken\CF_toksa
+ \CF_arrowgobspacesb
+ \CF_nextaction
}
-\expandafter\def\expandafter\CF at arrow@gobspaces at b\space{\futurelet\CF at toks@a\CF at arrow@gobspaces at a}
+\expandafter\def\expandafter\CF_arrowgobspacesb\space{\futurelet\CF_toksa\CF_arrowgobspacesa}
-\def\CF at arrow@f#1#2#3#4{% #1=angle #2=longueur #3=ancre d\xE9part #4=ancre arriv\xE9e
- \def\CF at next@action{\let\CF at compound\empty\CF at schemestart@c}%
- \def\CF at arrow@current at angle{#1}\CF at doifempty\CF at arrow@current at angle{\let\CF at arrow@current at angle\CF at arrow@angle}%
- \def\CF at current@arrow at length{#2}\CF at doifempty\CF at current@arrow at length{\let\CF at current@arrow at length\CF at arrow@length}%
- \node[at=(\CF at current@nodename.\CF at ifempty{#3}\CF at arrow@current at angle{#3}),shift=(\CF at arrow@current at angle:\CF at current@arrow at length*\CF at compound@sep),cyan,fill](end at arrow@i@\number\CF at scheme@nest){};%
- \edef\CF at arrow@end at name{end at arrow@i@\number\CF at scheme@nest\CF at doifnotempty{#4}{.#4}}%
+\def\CF_arrowf#1#2#3#4{% #1=angle #2=longueur #3=ancre d\xE9part #4=ancre arriv\xE9e
+ \def\CF_nextaction{\let\CF_compound\empty\CF_schemestartc}%
+ \def\CF_arrowcurrentangle{#1}\CF_doifempty\CF_arrowcurrentangle{\let\CF_arrowcurrentangle\CF_arrowangle}%
+ \def\CF_currentarrowlength{#2}\CF_doifempty\CF_currentarrowlength{\let\CF_currentarrowlength\CF_arrowlength}%
+ \node[at=(\CF_currentnodename.\CF_ifempty{#3}\CF_arrowcurrentangle{#3}),shift=(\CF_arrowcurrentangle:\CF_currentarrowlength*\CF_compoundsep),cyan,fill](end at arrow@i@\number\CF_schemenest){};%
+ \edef\CF_arrowendname{end at arrow@i@\number\CF_schemenest\CF_doifnotempty{#4}{.#4}}%
\ifboolKV[chemfig]{scheme debug}
- {\node[at=(\CF at current@nodename.\CF at ifempty{#3}\CF at arrow@current at angle{#3}),shift=(\CF at arrow@current at angle:\CF at arrow@offset),red,fill](start at arrow){};%
- \node[at=(\CF at current@nodename.\CF at ifempty{#3}\CF at arrow@current at angle{#3}),shift=(\CF at arrow@current at angle:\CF at current@arrow at length*\CF at compound@sep-\CF at arrow@offset),red,fill](end at arrow){};%
+ {\node[at=(\CF_currentnodename.\CF_ifempty{#3}\CF_arrowcurrentangle{#3}),shift=(\CF_arrowcurrentangle:\CF_arrowoffset),red,fill](start at arrow){};%
+ \node[at=(\CF_currentnodename.\CF_ifempty{#3}\CF_arrowcurrentangle{#3}),shift=(\CF_arrowcurrentangle:\CF_currentarrowlength*\CF_compoundsep-\CF_arrowoffset),red,fill](end at arrow){};%
}
- {\node[at=(\CF at current@nodename.\CF at ifempty{#3}\CF at arrow@current at angle{#3}),shift=(\CF at arrow@current at angle:\CF at arrow@offset)](start at arrow){};%
- \node[at=(\CF at current@nodename.\CF at ifempty{#3}\CF at arrow@current at angle{#3}),shift=(\CF at arrow@current at angle:\CF at current@arrow at length*\CF at compound@sep-\CF at arrow@offset)](end at arrow){};%
+ {\node[at=(\CF_currentnodename.\CF_ifempty{#3}\CF_arrowcurrentangle{#3}),shift=(\CF_arrowcurrentangle:\CF_arrowoffset)](start at arrow){};%
+ \node[at=(\CF_currentnodename.\CF_ifempty{#3}\CF_arrowcurrentangle{#3}),shift=(\CF_arrowcurrentangle:\CF_currentarrowlength*\CF_compoundsep-\CF_arrowoffset)](end at arrow){};%
}%
- \def\CF at arrow@start at node{start at arrow}\def\CF at arrow@end at node{end at arrow}%
- \csname\expandafter\CF at grab@arrow at name\CF at current@arrowtype[\@nil\CF at three@ea\endcsname
- \expandafter\CF at grab@arrow at args\CF at current@arrowtype[]\@nil[][][][][][][][]\@nil
- \def\CF at current@nodename{end at arrow@i@\number\CF at scheme@nest}%
- \edef\CF at next@nodeanchor{\CF at ifempty{#4}{180+\CF at arrow@current at angle}{#4}}%
+ \def\CF_arrowstartnode{start at arrow}\def\CF_arrowendnode{end at arrow}%
+ \csname\expandafter\CF_grabarrowname\CF_currentarrowtype[\_nil\CF_threeea\endcsname
+ \expandafter\CF_grabarrowargs\CF_currentarrowtype[]\_nil[][][][][][][][]\_nil
+ \def\CF_currentnodename{end at arrow@i@\number\CF_schemenest}%
+ \edef\CF_nextnodeanchor{\CF_ifempty{#4}{180+\CF_arrowcurrentangle}{#4}}%
}
% trace un fl\xE8che initi\xE9e par (@nom-- at nom)
% #1=type de fl\xE8che #2=nom depart #3=ancre d\xE9part #4=nom arriv\xE9e #5=ancre arriv\xE9e #6=style fl\xE8che
-\def\CF at direct@arrow#1#2#3#4#5#6{%
- \CF at exp@second{\def\CF at arrow@start at name}{\CF at gobarg#2}%
- \CF at exp@second{\def\CF at arrow@end at name}{\CF at gobarg#4}%
- \path[sloped,allow upside down](\CF at gobarg#2\ifx\empty#3\empty\else.#3\fi)--(\CF at gobarg#4\ifx\empty#5\empty\else.#5\fi)%
- coordinate[pos=0,xshift=\CF at arrow@offset](start at direct@arrow)%
- coordinate[pos=1,xshift=-\CF at arrow@offset](end at direct@arrow);%
- \def\CF at arrow@start at node{start at direct@arrow}%
- \def\CF at arrow@end at node{end at direct@arrow}%
+\def\CF_directarrow#1#2#3#4#5#6{%
+ \CF_expsecond{\def\CF_arrowstartname}{\CF_gobarg#2}%
+ \CF_expsecond{\def\CF_arrowendname}{\CF_gobarg#4}%
+ \path[sloped,allow upside down](\CF_gobarg#2\ifx\empty#3\empty\else.#3\fi)--(\CF_gobarg#4\ifx\empty#5\empty\else.#5\fi)%
+ coordinate[pos=0,xshift=\CF_arrowoffset](start at direct@arrow)%
+ coordinate[pos=1,xshift=-\CF_arrowoffset](end at direct@arrow);%
+ \def\CF_arrowstartnode{start at direct@arrow}%
+ \def\CF_arrowendnode{end at direct@arrow}%
\pgfmathanglebetweenpoints
- {\pgfpointanchor{\CF at gobarg#2}{\ifx\empty#3\empty center\else#3\fi}}% Ne pas utiliser \CF at ifempty ici !!!
- {\pgfpointanchor{\CF at gobarg#4}{\ifx\empty#5\empty center\else#5\fi}}%
- \let\CF at arrow@current at angle\pgfmathresult
- \CF at doifnotempty{#6}{\CF at add@tocs\CF at arrow@current at style{#6,}}%
- \csname\CF at grab@arrow at name#1[]\@nil\expandafter\endcsname\CF at grab@arrow at args#1[]\@nil[][][][][][][][]\@nil
+ {\pgfpointanchor{\CF_gobarg#2}{\ifx\empty#3\empty center\else#3\fi}}% Ne pas utiliser \CF_ifempty ici !!!
+ {\pgfpointanchor{\CF_gobarg#4}{\ifx\empty#5\empty center\else#5\fi}}%
+ \let\CF_arrowcurrentangle\pgfmathresult
+ \CF_doifnotempty{#6}{\CF_addtomacro\CF_arrowcurrentstyle{#6,}}%
+ \csname\CF_grabarrowname#1[]\_nil\expandafter\endcsname\CF_grabarrowargs#1[]\_nil[][][][][][][][]\_nil
}
-\def\CF at merge@grab at chardir#1[#2][#3]#4\@nil{%
- \expandafter\futurelet\expandafter\CF at toks@a\expandafter\CF at gobtonil\CF at firsttonil#1>\@nil\@nil
- \ifx>\CF at toks@a\def\CF at merge@angle{0}\def\CF at merge@extreme{xmax}\def\CF at merge@sign{+}\else
- \ifx<\CF at toks@a\def\CF at merge@angle{180}\def\CF at merge@extreme{xmin}\def\CF at merge@sign{-}\else
- \ifx^\CF at toks@a\def\CF at merge@angle{90}\def\CF at merge@extreme{ymax}\def\CF at merge@sign{+}\else
- \ifx v\CF at toks@a\def\CF at merge@angle{-90}\def\CF at merge@extreme{ymin}\def\CF at merge@sign{-}%
+\def\CF_mergegrabchardir#1[#2][#3]#4\_nil{%
+ \CF_expafter{\futurelet\CF_toksa\CF_gobtonil}{\CF_firsttonil#1>\_nil}\_nil
+ \ifx>\CF_toksa
+ \def\CF_mergeangle{0}\def\CF_mergeextreme{xmax}\def\CF_mergesign{+}%
+ \else
+ \ifx<\CF_toksa
+ \def\CF_mergeangle{180}\def\CF_mergeextreme{xmin}\def\CF_mergesign{-}%
+ \else
+ \ifx^\CF_toksa
+ \def\CF_mergeangle{90}\def\CF_mergeextreme{ymax}\def\CF_mergesign{+}%
+ \else
+ \ifx v\CF_toksa
+ \def\CF_mergeangle{-90}\def\CF_mergeextreme{ymin}\def\CF_mergesign{-}%
\fi\fi\fi\fi
- \def\CF at merge@labelup{#2}\def\CF at merge@labeldo{#3}%
+ \def\CF_mergelabelup{#2}\def\CF_mergelabeldo{#3}%
}
-\def\CF at merge#1({%
- \CF at merge@grab at chardir#1[][]\@nil
- \CF at merge@a(%
+\def\CF_merge#1({%
+ \CF_mergegrabchardir#1[][]\_nil
+ \CF_mergea(%
}
-\def\CF at merge@a#1--(#2){\CF at testopt{\CF at merge@b#1--(#2)}{}}
+\def\CF_mergea#1--(#2){\CF_testopt{\CF_mergeb#1--(#2)}{}}
-\def\CF at merge@b#1--(#2)[#3]{%
- \CF at display@compound{}{}%
- \CF at parse@mergeopt#3,\CF at quark,\CF at quark,\CF at quark\@nil
- \def\CF at merge@xmax{-16383.99999pt}\let\CF at merge@ymax\CF at merge@xmax
- \def\CF at merge@xmin{16383.99999pt}\let\CF at merge@ymin\CF at merge@xmin
- \CF at merge@parse at nodelist#1(\relax)% calcule les maxi des positions
- \pgfmathsetmacro\CF at merge@extreme at result{\csname CF at merge@\CF at merge@extreme\endcsname\CF at merge@sign\CF at merge@fromcoeff*\CF at compound@sep}%
- \CF at merge@c#1(\relax)% trace les lignes entre les noeuds pr\xE9c\xE9dents et la ligne de jonction
- \CF at exp@second{\def\CF at tmp@str}{\expandafter[\CF at merge@style,shorten <=0,shorten >=0,-]}%
- \if x\expandafter\CF at firsttonil\CF at merge@extreme\@nil
- \CF at add@tocs\CF at tmp@str{(\CF at merge@extreme at result pt,\CF at merge@ymax)--(\CF at merge@extreme at result pt,\CF at merge@ymin)}%
+\def\CF_mergeb#1--(#2)[#3]{%
+ \CF_displaycompound{}{}%
+ \CF_parsemergeopt#3,\CF_quark,\CF_quark,\CF_quark\_nil
+ \def\CF_mergexmax{-16383.99999pt}\let\CF_mergeymax\CF_mergexmax
+ \def\CF_mergexmin{16383.99999pt}\let\CF_mergeymin\CF_mergexmin
+ \CF_mergeparsenodelist#1(\relax)% calcule les maxi des positions
+ \pgfmathsetmacro\CF_mergeextremeresult{\csname CF_merge\CF_mergeextreme\endcsname\CF_mergesign\CF_mergefromcoeff*\CF_compoundsep}%
+ \CF_mergec#1(\relax)% trace les lignes entre les noeuds pr\xE9c\xE9dents et la ligne de jonction
+ \CF_expsecond{\def\CF_temp}{\expandafter[\CF_mergestyle,shorten <=0,shorten >=0,-]}%
+ \if x\expandafter\CF_firsttonil\CF_mergeextreme\_nil
+ \CF_addtomacro\CF_temp{(\CF_mergeextremeresult pt,\CF_mergeymax)--(\CF_mergeextremeresult pt,\CF_mergeymin)}%
\else
- \CF at add@tocs\CF at tmp@str{(\CF at merge@xmin,\CF at merge@extreme at result pt)--(\CF at merge@xmax,\CF at merge@extreme at result pt)}%
+ \CF_addtomacro\CF_temp{(\CF_mergexmin,\CF_mergeextremeresult pt)--(\CF_mergexmax,\CF_mergeextremeresult pt)}%
\fi
- \expandafter\draw\CF at tmp@str node[pos=\CF at merge@splitcoeff](merge at point){}% trace la ligne de jonction
- node[at=(merge at point),shift=(\CF at merge@angle:\CF at compound@sep*\CF at merge@tocoeff-\CF at arrow@offset)](end at merge){}%
- node[at=(merge at point),shift=(\CF at merge@angle:\CF at compound@sep*\CF at merge@tocoeff)](end at merge@i){};%
- \let\CF at arrow@current at angle\CF at merge@angle
- \expandafter\draw\expandafter[\CF at merge@style,shorten <=0](merge at point)--(end at merge)%
- \expandafter\CF at arrow@display at label@a\expandafter{\CF at merge@labelup}{.5}+\expandafter\CF at arrow@display at label@a\expandafter{\CF at merge@labeldo}{.5}-;%
- \def\CF at current@nodename{end at merge@i}%
- \let\CF at tmp@str\empty
- \CF at analyse@arrowarg{#2}%
- \expandafter\CF at merge@d\CF at tmp@str\@nil
+ \expandafter\draw\CF_temp node[pos=\CF_mergesplitcoeff](merge at point){}% trace la ligne de jonction
+ node[at=(merge at point),shift=(\CF_mergeangle:\CF_compoundsep*\CF_mergetocoeff-\CF_arrowoffset)](end at merge){}%
+ node[at=(merge at point),shift=(\CF_mergeangle:\CF_compoundsep*\CF_mergetocoeff)](end at merge@i){};%
+ \let\CF_arrowcurrentangle\CF_mergeangle
+ \CF_expafter{\draw[}\CF_mergestyle,shorten <=0](merge at point)--(end at merge)%
+ \expandafter\CF_arrowdisplaylabela\expandafter{\CF_mergelabelup}{.5}+\expandafter\CF_arrowdisplaylabela\expandafter{\CF_mergelabeldo}{.5}-;%
+ \def\CF_currentnodename{end at merge@i}%
+ \let\CF_temp\empty
+ \CF_analysearrowarg{#2}%
+ \expandafter\CF_merged\CF_temp\_nil
}
-\def\CF at merge@c(#1){%
- \if\relax\expandafter\noexpand\CF at firsttonil#1\@nil
+\def\CF_mergec(#1){%
+ \if\relax\expandafter\noexpand\CF_firsttonil#1\_nil
\else
- \CF at if@stop{#1}%
- {\edef\merge at current@nodename{\CF at before@stop#1\@nil}\edef\merge at current@anchor{\CF at after@stop#1\@nil}}%
- {\def\merge at current@nodename{#1}\let\merge at current@anchor\CF at merge@angle}%
- \if x\expandafter\CF at firsttonil\CF at merge@extreme\@nil
- \pgfextracty\CF at dim{\pgfpointanchor\merge at current@nodename\merge at current@anchor}%
- \expandafter\draw\expandafter[\CF at merge@style,shorten >=0,-]([shift=(\CF at merge@angle:\CF at arrow@offset)]\merge at current@nodename.\merge at current@anchor)--(\CF at merge@extreme at result pt,\CF at dim);%
+ \CF_ifdot{#1}%
+ {\edef\merge_currentnodename{\CF_beforedot#1\_nil}%
+ \edef\merge_currentanchor{\CF_afterdot#1\_nil}%
+ }%
+ {\def\merge_currentnodename{#1}%
+ \let\merge_currentanchor\CF_mergeangle
+ }%
+ \if x\expandafter\CF_firsttonil\CF_mergeextreme\_nil
+ \pgfextracty\CF_dim{\pgfpointanchor\merge_currentnodename\merge_currentanchor}%
+ \CF_expafter{\draw[}\CF_mergestyle,shorten >=0,-]([shift=(\CF_mergeangle:\CF_arrowoffset)]\merge_currentnodename.\merge_currentanchor)--(\CF_mergeextremeresult pt,\CF_dim);%
\else
- \pgfextractx\CF at dim{\pgfpointanchor\merge at current@nodename\merge at current@anchor}%
- \expandafter\draw\expandafter[\CF at merge@style,shorten >=0,-]([shift=(\CF at merge@angle:\CF at arrow@offset)]\merge at current@nodename.\merge at current@anchor)--(\CF at dim,\CF at merge@extreme at result pt);%
+ \pgfextractx\CF_dim{\pgfpointanchor\merge_currentnodename\merge_currentanchor}%
+ \CF_expafter{\draw[}\CF_mergestyle,shorten >=0,-]([shift=(\CF_mergeangle:\CF_arrowoffset)]\merge_currentnodename.\merge_currentanchor)--(\CF_dim,\CF_mergeextremeresult pt);%
\fi
- \expandafter\CF at merge@c
+ \expandafter\CF_mergec
\fi
}
-\def\CF at merge@d#1.#2[#3]\@nil{%
- \def\CF at next@nodename{#1}%
- \edef\CF at next@nodeanchor{\CF at ifempty{#2}{180+\CF at merge@angle}{#2}}%
- \def\CF at next@nodestyle{#3}%
- \let\CF at compound\empty
- \CF at schemestart@c
+\def\CF_merged#1.#2[#3]\_nil{%
+ \def\CF_nextnodename{#1}%
+ \edef\CF_nextnodeanchor{%
+ \CF_ifempty{#2}
+ {180+\CF_mergeangle}
+ {#2}%
+ }%
+ \def\CF_nextnodestyle{#3}%
+ \let\CF_compound\empty
+ \CF_schemestartc
}
-\def\CF at parse@mergeopt#1,#2,#3,#4\@nil{%
- \CF at ifempty{#1}{\def\CF at merge@fromcoeff{0.5}}{\def\CF at merge@fromcoeff{#1}}%
- \def\CF at merge@tocoeff{0.5}%
- \def\CF at merge@splitcoeff{0.5}%
- \CF at eexp@second{\def\CF at merge@style}{\useKV[chemfig]{arrow head}}%
- \CF at if@firsttokmatch\CF at quark{#2\relax}
+\def\CF_parsemergeopt#1,#2,#3,#4\_nil{%
+ \CF_ifempty{#1}
+ {\def\CF_mergefromcoeff{0.5}}
+ {\def\CF_mergefromcoeff{#1}}%
+ \def\CF_mergetocoeff{0.5}%
+ \def\CF_mergesplitcoeff{0.5}%
+ \CF_eexpsecond{\def\CF_mergestyle}{\useKV[chemfig]{arrow head}}%
+ \CF_iffirsttokmatch\CF_quark{#2\relax}
{}
- {\CF at ifempty{#2}{\def\CF at merge@tocoeff{0.5}}{\def\CF at merge@tocoeff{#2}}%
- \CF at if@firsttokmatch\CF at quark{#3\relax}
+ {\CF_ifempty{#2}
+ {\def\CF_mergetocoeff{0.5}}
+ {\def\CF_mergetocoeff{#2}}%
+ \CF_iffirsttokmatch\CF_quark{#3\relax}
{}
- {\CF at ifempty{#3}{\def\CF at merge@splitcoeff{0.5}}{\def\CF at merge@splitcoeff{#3}}%
- \CF at if@firsttokmatch\CF at quark{#4\relax}
+ {\CF_ifempty{#3}
+ {\def\CF_mergesplitcoeff{0.5}}
+ {\def\CF_mergesplitcoeff{#3}}%
+ \CF_iffirsttokmatch\CF_quark{#4\relax}
{}
- {\CF at parse@mergeopt at i#4\@nil}%
+ {\CF_parsemergeopta#4\_nil}%
}%
}%
}
-\def\CF at parse@mergeopt at i#1,\CF at quark#2\@nil{%
- \CF at ifempty{#1}{}{\CF at add@tocs\CF at merge@style{,#1}}%
+\def\CF_parsemergeopta#1,\CF_quark#2\_nil{%
+ \CF_ifempty{#1}
+ {}
+ {\CF_addtomacro\CF_mergestyle{,#1}}%
}
-\def\CF at merge@parse at nodelist(#1){%
- \if\relax\expandafter\noexpand\CF at firsttonil#1\@nil
+\def\CF_mergeparsenodelist(#1){%
+ \if\relax\expandafter\noexpand\CF_firsttonil#1\_nil
\else
- \CF at if@stop{#1}%
- {\edef\merge at current@nodename{\CF at before@stop#1\@nil}\edef\merge at current@anchor{\CF at after@stop#1\@nil}}%
- {\def\merge at current@nodename{#1}\let\merge at current@anchor\CF at merge@angle}%
- \pgfextractx\CF at dim{\pgfpointanchor\merge at current@nodename\merge at current@anchor}%
- \ifdim\CF at dim>\CF at merge@xmax\edef\CF at merge@xmax{\the\CF at dim}\fi
- \ifdim\CF at dim<\CF at merge@xmin\edef\CF at merge@xmin{\the\CF at dim}\fi
- \pgfextracty\CF at dim{\pgfpointanchor\merge at current@nodename\merge at current@anchor}%
- \ifdim\CF at dim>\CF at merge@ymax\edef\CF at merge@ymax{\the\CF at dim}\fi
- \ifdim\CF at dim<\CF at merge@ymin\edef\CF at merge@ymin{\the\CF at dim}\fi
- \expandafter\CF at merge@parse at nodelist
+ \CF_ifdot{#1}%
+ {\edef\merge_currentnodename{\CF_beforedot#1\_nil}\edef\merge_currentanchor{\CF_afterdot#1\_nil}}%
+ {\def\merge_currentnodename{#1}\let\merge_currentanchor\CF_mergeangle}%
+ \pgfextractx\CF_dim{\pgfpointanchor\merge_currentnodename\merge_currentanchor}%
+ \ifdim\CF_dim>\CF_mergexmax
+ \edef\CF_mergexmax{\the\CF_dim}%
+ \fi
+ \ifdim\CF_dim<\CF_mergexmin
+ \edef\CF_mergexmin{\the\CF_dim}%
+ \fi
+ \pgfextracty\CF_dim{\pgfpointanchor\merge_currentnodename\merge_currentanchor}%
+ \ifdim\CF_dim>\CF_mergeymax
+ \edef\CF_mergeymax{\the\CF_dim}%
+ \fi
+ \ifdim\CF_dim<\CF_mergeymin
+ \edef\CF_mergeymin{\the\CF_dim}%
+ \fi
+ \expandafter\CF_mergeparsenodelist
\fi
}
-\def\CF at grab@arrow at name#1[#2\@nil{\detokenize{CF at arrow(#1)}}
-\def\CF at grab@arrow at args#1[#2\@nil{[#2}
+\def\CF_grabarrowname#1[#2\_nil{\detokenize{CF_arrow(#1)}}
+\def\CF_grabarrowargs#1[#2\_nil{[#2}
-\def\CF at make@parameter at text#1{%
- \toks\z@{}%
- \CF at cnt@groupnumber#1\relax
- \CF at make@parameter at text@a1%
+\def\CF_makeparametertext#1{%
+ \toks0{}%
+ \CF_cntgroup#1\relax
+ \CF_makeparametertexta1%
}
-\def\CF at make@parameter at text@a#1{%
- \unless\ifnum#1>\CF at cnt@groupnumber
- \toks\z@\expandafter{\the\toks\z@[###1]}%
- \expandafter\CF at make@parameter at text@a\expandafter{\number\numexpr#1+1\expandafter}%
+\def\CF_makeparametertexta#1{%
+ \unless\ifnum#1>\CF_cntgroup
+ \toks0\expandafter{\the\toks0[###1]}%
+ \expandafter\CF_makeparametertexta\expandafter{\number\numexpr#1+1\expandafter}%
\fi
}
@@ -1981,162 +2215,220 @@
% #1 est le nombre d'arguments optionnels, #2 est le nom et #3 le code
\def\definearrow#1#2#3{%
\begingroup
- \CF at make@parameter at text{#1}%
+ \CF_makeparametertext{#1}%
\expandafter\endgroup
- \expandafter\def\csname\detokenize{CF at arrow(#2)}\expandafter\endcsname\the\toks\z@{#3\CF at gobtonil}%
+ \expandafter\def\csname\detokenize{CF_arrow(#2)}\expandafter\endcsname\the\toks0{#3\CF_gobtonil}%
}
-\def\CF at if@stop#1{\CF at if@stop at a#1.\@nil}
-\def\CF at if@stop at a#1.#2\@nil{\ifx\empty#2\empty\expandafter\CF at execsecond\else\expandafter\CF at execfirst\fi}
-\def\CF at before@stop#1.#2\@nil{#1}
-\def\CF at after@stop#1.#2\@nil{#2}
+\def\CF_ifdot#1{\CF_ifdota#1.\_nil}
+\def\CF_ifdota#1.#2\_nil{\ifx\empty#2\empty\expandafter\CF_execsecond\else\expandafter\CF_execfirst\fi}
+\def\CF_beforedot#1.#2\_nil{#1}
+\def\CF_afterdot#1.#2\_nil{#2}
-\def\CF at rotate@node*#1#2\@nil{\CF at if@stop{#1}{\CF at before@stop#1\@nil}{#1}}
-\def\CF at anchor@node*#1#2\@nil#3{\CF at if@stop{#1}{\CF at after@stop#1\@nil}{\CF at arrow@current at angle-#390-#1}}
+\def\CF_rotatenode*#1#2\_nil{%
+ \CF_ifdot{#1}
+ {\CF_beforedot#1\_nil}
+ {#1}%
+}
+\def\CF_anchornode*#1#2\_nil#3{%
+ \CF_ifdot{#1}
+ {\CF_afterdot#1\_nil}
+ {\CF_arrowcurrentangle-#390-#1}%
+}
% #1 = label #2 = position #3 = + ou - (au dessus ou au dessous) #4 : nom du noeud de d\xE9part
% #5 = label #6 = position #7 = + ou - (au dessus ou au dessous) #8 : nom du noeud de fin
-\def\CF at arrow@display at label#1#2#3#4#5#6#7#8{%
- \CF at doifnotempty{#1#5}
- {\path(#4)--(#8)\CF at arrow@display at label@a{#1}{#2}{#3}\CF at arrow@display at label@a{#5}{#6}{#7};}%
+\def\CF_arrowdisplaylabel#1#2#3#4#5#6#7#8{%
+ \CF_doifnotempty{#1#5}
+ {\path(#4)--(#8)\CF_arrowdisplaylabela{#1}{#2}{#3}\CF_arrowdisplaylabela{#5}{#6}{#7};}%
}
-\def\CF at arrow@display at label@a#1#2#3{%
- \CF at doifnotempty{#1}
- {\if*\expandafter\CF at firsttonil\detokenize{#1}\@nil
+\def\CF_arrowdisplaylabela#1#2#3{%
+ \CF_doifnotempty{#1}
+ {\if*\expandafter\CF_firsttonil\detokenize{#1}\_nil
\ifboolKV[chemfig]{scheme debug}
- {node[pos=#2,sloped,yshift=#3\CF at arrow@labelsep,draw,fill,cyan](shifted at node){}%
- node[draw,rotate=\CF at rotate@node#1\@nil,anchor=\CF at anchor@node#1\@nil#3,at=(shifted at node)]{\expandafter\CF at gobarg\CF at gobarg#1}%
+ {node[pos=#2,sloped,yshift=#3\CF_arrowlabelsep,draw,fill,cyan](shifted at node){}%
+ node[draw,rotate=\CF_rotatenode#1\_nil,anchor=\CF_anchornode#1\_nil#3,at=(shifted at node)]{\expandafter\CF_gobarg\CF_gobarg#1}%
}
- {node[pos=#2,sloped,yshift=#3\CF at arrow@labelsep](shifted at node){}%
- node[rotate=\CF at rotate@node#1\@nil,anchor=\CF at anchor@node#1\@nil#3,at=(shifted at node)]{\expandafter\CF at gobarg\CF at gobarg#1}%
+ {node[pos=#2,sloped,yshift=#3\CF_arrowlabelsep](shifted at node){}%
+ node[rotate=\CF_rotatenode#1\_nil,anchor=\CF_anchornode#1\_nil#3,at=(shifted at node)]{\expandafter\CF_gobarg\CF_gobarg#1}%
}%
\else
\ifboolKV[chemfig]{scheme debug}
- {node[pos=#2,sloped,yshift=#3\CF at arrow@labelsep,draw,fill,cyan](shifted at node){}%
- node[draw,pos=#2,anchor=-#390,sloped,yshift=#3\CF at arrow@labelsep]{#1}%
+ {node[pos=#2,sloped,yshift=#3\CF_arrowlabelsep,draw,fill,cyan](shifted at node){}%
+ node[draw,pos=#2,anchor=-#390,sloped,yshift=#3\CF_arrowlabelsep]{#1}%
}
- {node[pos=#2,anchor=-#390,sloped,yshift=#3\CF at arrow@labelsep]{#1}%
+ {node[pos=#2,anchor=-#390,sloped,yshift=#3\CF_arrowlabelsep]{#1}%
}
\fi
}%
}
-% pose des noeuds d\xE9cal\xE9s de la dimension #1 \xE0 (\CF at arrow@start at node) et (\CF at arrow@end at node)
-\def\CF at arrow@shift at nodes#1{%
- \unless\ifdim\CF at ifempty{#1}\z@{#1}=\z@
- \edef\CF at tmp@str{%
- \noexpand\path(\CF at arrow@start at node)--(\CF at arrow@end at node)%
- node[pos=0,sloped,yshift=#1](\CF at arrow@start at node1){}node[pos=1,sloped,yshift=#1](\CF at arrow@end at node1){};}%
- \CF at tmp@str
- \edef\CF at arrow@start at node{\CF at arrow@start at node1}\edef\CF at arrow@end at node{\CF at arrow@end at node1}%
+% pose des noeuds d\xE9cal\xE9s de la dimension #1 \xE0 (\CF_arrowstartnode) et (\CF_arrowendnode)
+\def\CF_arrowshiftnodes#1{%
+ \unless\ifdim\CF_ifempty{#1}\CF_zero{#1}=0pt
+ \edef\CF_temp{%
+ \noexpand\path(\CF_arrowstartnode)--(\CF_arrowendnode)%
+ node[pos=0,sloped,yshift=#1](\CF_arrowstartnode1){}node[pos=1,sloped,yshift=#1](\CF_arrowendnode1){};}%
+ \CF_temp
+ \edef\CF_arrowstartnode{\CF_arrowstartnode1}\edef\CF_arrowendnode{\CF_arrowendnode1}%
\fi
}
\definearrow3{->}{%
- \CF at arrow@shift at nodes{#3}%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@start at node)--(\CF at arrow@end at node);%
- \CF at arrow@display at label{#1}{0.5}+\CF at arrow@start at node{#2}{0.5}-\CF at arrow@end at node
+ \CF_arrowshiftnodes{#3}%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowstartnode)--(\CF_arrowendnode);%
+ \CF_arrowdisplaylabel{#1}{0.5}+\CF_arrowstartnode{#2}{0.5}-\CF_arrowendnode
}
\definearrow3{<-}{%
- \CF at arrow@shift at nodes{#3}%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@end at node)--(\CF at arrow@start at node);%
- \CF at arrow@display at label{#1}{0.5}+\CF at arrow@start at node{#2}{0.5}-\CF at arrow@end at node
+ \CF_arrowshiftnodes{#3}%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowendnode)--(\CF_arrowstartnode);%
+ \CF_arrowdisplaylabel{#1}{0.5}+\CF_arrowstartnode{#2}{0.5}-\CF_arrowendnode
}
\definearrow5{-/>}{%
- \CF at arrow@shift at nodes{#3}%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@start at node)--(\CF at arrow@end at node)%
- coordinate[midway,shift=(\CF at arrow@current at angle:-1pt)](midway at i)%
- coordinate[midway,shift=(\CF at arrow@current at angle:1pt)](midway at ii)%
- coordinate[at=(midway at i),shift=(\CF at ifempty{#4}{225}{#4+180}+\CF at arrow@current at angle:\CF at ifempty{#5}{5pt}{#5})](line at start)%
- coordinate[at=(midway at i),shift=(\CF at ifempty{#4}{45}{#4}+\CF at arrow@current at angle:\CF at ifempty{#5}{5pt}{#5})](line at end)%
- coordinate[at=(midway at ii),shift=(\CF at ifempty{#4}{225}{#4+180}+\CF at arrow@current at angle:\CF at ifempty{#5}{5pt}{#5})](line at start@i)%
- coordinate[at=(midway at ii),shift=(\CF at ifempty{#4}{45}{#4}+\CF at arrow@current at angle:\CF at ifempty{#5}{5pt}{#5})](line at end@i);
+ \CF_arrowshiftnodes{#3}%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowstartnode)--(\CF_arrowendnode)%
+ coordinate[midway,shift=(\CF_arrowcurrentangle:-1pt)](midway at i)%
+ coordinate[midway,shift=(\CF_arrowcurrentangle:1pt)](midway at ii)%
+ coordinate[at=(midway at i),shift=(\CF_ifempty{#4}{225}{#4+180}+\CF_arrowcurrentangle:\CF_ifempty{#5}{5pt}{#5})](line at start)%
+ coordinate[at=(midway at i),shift=(\CF_ifempty{#4}{45}{#4}+\CF_arrowcurrentangle:\CF_ifempty{#5}{5pt}{#5})](line at end)%
+ coordinate[at=(midway at ii),shift=(\CF_ifempty{#4}{225}{#4+180}+\CF_arrowcurrentangle:\CF_ifempty{#5}{5pt}{#5})](line at start@i)%
+ coordinate[at=(midway at ii),shift=(\CF_ifempty{#4}{45}{#4}+\CF_arrowcurrentangle:\CF_ifempty{#5}{5pt}{#5})](line at end@i);
\draw(line at start)--(line at end);%
\draw(line at start@i)--(line at end@i);%
- \CF at arrow@display at label{#1}{0.5}+\CF at arrow@start at node{#2}{0.5}-\CF at arrow@end at node
+ \CF_arrowdisplaylabel{#1}{0.5}+\CF_arrowstartnode{#2}{0.5}-\CF_arrowendnode
}
\definearrow3{<->}{%
- \CF at arrow@shift at nodes{#3}%
- \expandafter\draw\expandafter[\CF at arrow@current at style,\CF at arrowtip-\CF at arrowtip](\CF at arrow@start at node)--(\CF at arrow@end at node);%
- \CF at arrow@display at label{#1}{0.5}+\CF at arrow@start at node{#2}{0.5}-\CF at arrow@end at node
+ \CF_arrowshiftnodes{#3}%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle,\CF_arrowtip-\CF_arrowtip](\CF_arrowstartnode)--(\CF_arrowendnode);%
+ \CF_arrowdisplaylabel{#1}{0.5}+\CF_arrowstartnode{#2}{0.5}-\CF_arrowendnode
}
\definearrow3{<=>}{%
- \CF at arrow@shift at nodes{#3}%
- \path[allow upside down](\CF at arrow@start at node)--(\CF at arrow@end at node)%
- node[pos=0,sloped,yshift=\CF at arrow@double at sep](\CF at arrow@start at node @u0){}%
- node[pos=0,sloped,yshift=-\CF at arrow@double at sep](\CF at arrow@start at node @d0){}%
- node[pos=1,sloped,yshift=\CF at arrow@double at sep](\CF at arrow@start at node @u1){}%
- node[pos=1,sloped,yshift=-\CF at arrow@double at sep](\CF at arrow@start at node @d1){};%
+ \CF_arrowshiftnodes{#3}%
+ \path[allow upside down](\CF_arrowstartnode)--(\CF_arrowendnode)%
+ node[pos=0,sloped,yshift=\CF_arrowdoublesep](\CF_arrowstartnode @u0){}%
+ node[pos=0,sloped,yshift=-\CF_arrowdoublesep](\CF_arrowstartnode @d0){}%
+ node[pos=1,sloped,yshift=\CF_arrowdoublesep](\CF_arrowstartnode @u1){}%
+ node[pos=1,sloped,yshift=-\CF_arrowdoublesep](\CF_arrowstartnode @d1){};%
\begingroup
- \ifboolKV[chemfig]{arrow double harpoon}{\pgfarrowharpoontrue}{}%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@start at node @u0)--(\CF at arrow@start at node @u1);%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@start at node @d1)--(\CF at arrow@start at node @d0);%
+ \ifboolKV[chemfig]{arrow double harpoon}
+ {\pgfarrowharpoontrue}
+ {}%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowstartnode @u0)--(\CF_arrowstartnode @u1);%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowstartnode @d1)--(\CF_arrowstartnode @d0);%
\endgroup
- \CF at arrow@display at label{#1}{0.5}+\CF at arrow@start at node{#2}{0.5}-\CF at arrow@end at node%
+ \CF_arrowdisplaylabel{#1}{0.5}+\CF_arrowstartnode{#2}{0.5}-\CF_arrowendnode%
}
\definearrow3{<->>}{%
- \CF at arrow@shift at nodes{#3}%
- \path[allow upside down](\CF at arrow@start at node)--(\CF at arrow@end at node)%
- node[pos=0,sloped,yshift=1pt](\CF at arrow@start at node @u0){}%
- node[pos=\CF at arrow@double at pos@start,sloped,yshift=-1pt](\CF at arrow@start at node @d0){}%
- node[pos=1,sloped,yshift=1pt](\CF at arrow@start at node @u1){}%
- node[pos=\CF at arrow@double at pos@end,sloped,yshift=-1pt](\CF at arrow@start at node @d1){};%
+ \CF_arrowshiftnodes{#3}%
+ \path[allow upside down](\CF_arrowstartnode)--(\CF_arrowendnode)%
+ node[pos=0,sloped,yshift=1pt](\CF_arrowstartnode @u0){}%
+ node[pos=\CF_arrowdoubleposstart,sloped,yshift=-1pt](\CF_arrowstartnode @d0){}%
+ node[pos=1,sloped,yshift=1pt](\CF_arrowstartnode @u1){}%
+ node[pos=\CF_arrowdoubleposend,sloped,yshift=-1pt](\CF_arrowstartnode @d1){};%
\begingroup
- \ifboolKV[chemfig]{arrow double harpoon}{\pgfarrowharpoontrue}{}%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@start at node @u0)--(\CF at arrow@start at node @u1);%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@start at node @d1)--(\CF at arrow@start at node @d0);%
+ \ifboolKV[chemfig]{arrow double harpoon}
+ {\pgfarrowharpoontrue}
+ {}%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowstartnode @u0)--(\CF_arrowstartnode @u1);%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowstartnode @d1)--(\CF_arrowstartnode @d0);%
\endgroup
- \CF at arrow@display at label{#1}{0.5}+\CF at arrow@start at node{#2}{0.5}-\CF at arrow@end at node%
+ \CF_arrowdisplaylabel{#1}{0.5}+\CF_arrowstartnode{#2}{0.5}-\CF_arrowendnode%
}
\definearrow3{<<->}{%
- \path[allow upside down](\CF at arrow@start at node)--(\CF at arrow@end at node)%
- node[pos=\CF at arrow@double at pos@start,sloped,yshift=1pt](\CF at arrow@start at node @u0){}%
- node[pos=0,sloped,yshift=-1pt](\CF at arrow@start at node @d0){}%
- node[pos=\CF at arrow@double at pos@end,sloped,yshift=1pt](\CF at arrow@start at node @u1){}%
- node[pos=1,sloped,yshift=-1pt](\CF at arrow@start at node @d1){};%
+ \path[allow upside down](\CF_arrowstartnode)--(\CF_arrowendnode)%
+ node[pos=\CF_arrowdoubleposstart,sloped,yshift=1pt](\CF_arrowstartnode @u0){}%
+ node[pos=0,sloped,yshift=-1pt](\CF_arrowstartnode @d0){}%
+ node[pos=\CF_arrowdoubleposend,sloped,yshift=1pt](\CF_arrowstartnode @u1){}%
+ node[pos=1,sloped,yshift=-1pt](\CF_arrowstartnode @d1){};%
\begingroup
- \ifboolKV[chemfig]{arrow double harpoon}{\pgfarrowharpoontrue}{}%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@start at node @u0)--(\CF at arrow@start at node @u1);%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@start at node @d1)--(\CF at arrow@start at node @d0);%
+ \ifboolKV[chemfig]{arrow double harpoon}
+ {\pgfarrowharpoontrue}
+ {}%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowstartnode @u0)--(\CF_arrowstartnode @u1);%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowstartnode @d1)--(\CF_arrowstartnode @d0);%
\endgroup
- \CF at arrow@display at label{#1}{0.5}+\CF at arrow@start at node{#2}{0.5}-\CF at arrow@end at node
+ \CF_arrowdisplaylabel{#1}{0.5}+\CF_arrowstartnode{#2}{0.5}-\CF_arrowendnode
}
\definearrow30{%
- \CF at arrow@shift at nodes{#3}%
- \CF at arrow@display at label{#1}{0.5}+\CF at arrow@start at node{#2}{0.5}-\CF at arrow@end at node
+ \CF_arrowshiftnodes{#3}%
+ \CF_arrowdisplaylabel{#1}{0.5}+\CF_arrowstartnode{#2}{0.5}-\CF_arrowendnode
}
\definearrow5{-U>}{%
- \CF at arrow@shift at nodes{#3}%
- \expandafter\draw\expandafter[\CF at arrow@current at style](\CF at arrow@start at node)--(\CF at arrow@end at node)node[midway](Uarrow at arctangent){};%
- \CF at ifempty{#4}
- {\def\CF at Uarrow@radius{0.333}}
- {\def\CF at Uarrow@radius{#4}}%
- \CF at ifempty{#5}%
- {\def\CF at Uarrow@absangle{60}}
- {\pgfmathsetmacro\CF at Uarrow@absangle{abs(#5)}}% ne prendre en compte que la valeur absolue de l'angle
- \edef\CF at tmp@str{[\CF at ifempty{#1}{draw=none}{\unexpanded\expandafter{\CF at arrow@current at style}},-]}%
- \expandafter\draw\CF at tmp@str (Uarrow at arctangent)%
- arc[radius=\CF at compound@sep*\CF at current@arrow at length*\CF at Uarrow@radius,start angle=\CF at arrow@current at angle-90,delta angle=-\CF at Uarrow@absangle]node(Uarrow at start){};
- \edef\CF at tmp@str{[\CF at ifempty{#2}{draw=none}{\unexpanded\expandafter{\CF at arrow@current at style}}]}%
- \expandafter\draw\CF at tmp@str (Uarrow at arctangent)%
- arc[radius=\CF at compound@sep*\CF at current@arrow at length*\CF at Uarrow@radius,start angle=\CF at arrow@current at angle-90,delta angle=\CF at Uarrow@absangle]node(Uarrow at end){};
- \pgfmathsetmacro\CF at tmp@str{\CF at Uarrow@radius*cos(\CF at arrow@current at angle)<0?"-":"+"}%
- \ifdim\CF at Uarrow@radius pt>\z@
- \CF at arrow@display at label{#1}{0}\CF at tmp@str{Uarrow at start}{#2}{1}\CF at tmp@str{Uarrow at end}%
+ \CF_arrowshiftnodes{#3}%
+ \CF_expafter{\draw[}\CF_arrowcurrentstyle](\CF_arrowstartnode)--(\CF_arrowendnode)node[midway](Uarrow at arctangent){};%
+ \CF_ifempty{#4}
+ {\def\CF_Uarrowradius{0.333}}
+ {\def\CF_Uarrowradius{#4}}%
+ \CF_ifempty{#5}%
+ {\def\CF_Uarrowabsangle{60}}
+ {\pgfmathsetmacro\CF_Uarrowabsangle{abs(#5)}}% ne prendre en compte que la valeur absolue de l'angle
+ \edef\CF_temp{[\CF_ifempty{#1}{draw=none}{\unexpanded\expandafter{\CF_arrowcurrentstyle}},-]}%
+ \expandafter\draw\CF_temp (Uarrow at arctangent)%
+ arc[radius=\CF_compoundsep*\CF_currentarrowlength*\CF_Uarrowradius,start angle=\CF_arrowcurrentangle-90,delta angle=-\CF_Uarrowabsangle]node(Uarrow at start){};
+ \edef\CF_temp{[\CF_ifempty{#2}{draw=none}{\unexpanded\expandafter{\CF_arrowcurrentstyle}}]}%
+ \expandafter\draw\CF_temp (Uarrow at arctangent)%
+ arc[radius=\CF_compoundsep*\CF_currentarrowlength*\CF_Uarrowradius,start angle=\CF_arrowcurrentangle-90,delta angle=\CF_Uarrowabsangle]node(Uarrow at end){};
+ \pgfmathsetmacro\CF_temp{\CF_Uarrowradius*cos(\CF_arrowcurrentangle)<0?"-":"+"}%
+ \ifdim\CF_Uarrowradius pt>0pt
+ \CF_arrowdisplaylabel{#1}{0}\CF_temp{Uarrow at start}{#2}{1}\CF_temp{Uarrow at end}%
\else
- \CF at arrow@display at label{#2}{0}\CF at tmp@str{Uarrow at start}{#1}{1}\CF at tmp@str{Uarrow at end}%
+ \CF_arrowdisplaylabel{#2}{0}\CF_temp{Uarrow at start}{#1}{1}\CF_temp{Uarrow at end}%
\fi
}
+\def\CF_grabdelim#1#2#3\_nil{\def\CF_leftdelim{#1}\def\CF_rightdelim{#2}}
+\def\CF_resetdelim{%
+ \setKVdefault[CFdelimiters]
+ {delimiters =(),
+ height =10pt,
+ depth =,
+ open xshift =0pt,
+ close xshift=,
+ indice =n}%
+}
+
+\CF_resetdelim
+
+\def\polymerdelim{\CF_ifnextchar[{\CF_polymerdelima}{\CF_polymerdelima[]}}
+\def\CF_polymerdelima[#1]#2#3{%
+ \CF_resetdelim
+ \CF_doifnotempty{#1}{\setKV[CFdelimiters]{#1}}%
+ \expandafter\expandafter\expandafter\CF_grabdelim\useKV[CFdelimiters]{delimiters}()\_nil
+ \edef\CF_delimheight{\the\dimexpr\useKV[CFdelimiters]{height}}%
+ \CF_eexpsecond\CF_ifempty{\useKV[CFdelimiters]{depth}}
+ {\let\CF_delimdepth\CF_delimheight}
+ {\edef\CF_delimdepth{\the\dimexpr\useKV[CFdelimiters]{depth}}}%
+ \edef\CF_delimhalfdim{\the\dimexpr(\CF_delimheight+\CF_delimdepth)/2}%
+ \edef\CF_delimvshift {\the\dimexpr(\CF_delimheight-\CF_delimdepth)/2}%
+ \edef\CF_leftdelimxshift{\the\dimexpr\useKV[CFdelimiters]{open xshift}}%
+ \CF_eexpsecond\CF_ifempty{\useKV[CFdelimiters]{close xshift}}
+ {\edef\CF_rightdelimxshift{\the\dimexpr-\useKV[CFdelimiters]{open xshift}}}
+ {\edef\CF_rightdelimxshift{\the\dimexpr-\useKV[CFdelimiters]{close xshift}}}%
+ \chemmove{%
+ \nulldelimiterspace0pt
+ \pgfextractx\CF_dim{\pgfpointanchor{#2}{center}}\edef\CF_leftdelimx{\the\CF_dim}%
+ \pgfextracty\CF_dim{\pgfpointanchor{#2}{center}}\edef\CF_leftdelimy{\the\CF_dim}%
+ \pgfextractx\CF_dim{\pgfpointanchor{#3}{center}}\edef\CF_rightdelimx{\the\CF_dim}%
+ \node[at={(\CF_leftdelimx+\CF_leftdelimxshift,\CF_leftdelimy+\CF_delimvshift)}]
+ {$\left\CF_leftdelim\vrule height\CF_delimhalfdim depth\CF_delimhalfdim width0pt\right.$};%
+ \node[at={(\CF_rightdelimx+\CF_rightdelimxshift,\CF_leftdelimy+\CF_delimvshift)}]
+ {$\left.\vrule height\CF_delimhalfdim depth\CF_delimhalfdim width0pt\right\CF_rightdelim
+ \CF_eexpsecond\CF_doifnotempty{\useKV[CFdelimiters]{indice}}
+ {\CF_underscore{\rlap{$\scriptstyle\useKV[CFdelimiters]{indice}$}}}
+ $};
+ }%
+}
+
+\catcode`\@11
\pgfdeclarearrow{%
name = CF,%
defaults = {%
@@ -2179,7 +2471,7 @@
\pgfmathsincos@{\pgf at sys@tonumber\pgf at ya}%
\pgf at ya\pgfmathresulty\pgf at yc% ya is the back miter
\pgf at yb\pgfmathresultx\pgf at yc% yb is the top miter
- \ifdim\pgfarrowinset=\z@
+ \ifdim\pgfarrowinset=0pt
\pgf at ya.5\pgfarrowlinewidth% easy: back miter is half linewidth
\fi
% Compute inset miter length:
@@ -2258,48 +2550,6 @@
\ifpgfarrowroundjoin j\fi%
}%
}
-
-\def\CF at grab@delim#1#2#3\@nil{\def\CF at left@delim{#1}\def\CF at right@delim{#2}}
-\def\CF at resetdelim{%
- \setKVdefault[CFdelimiters]
- {delimiters =(),
- height =10pt,
- depth =,
- open xshift =0pt,
- close xshift=,
- indice =n}%
-}
-\CF at resetdelim
-\def\polymerdelim{\CF at ifnextchar[{\polymerdelim at a}{\polymerdelim at a[]}}
-\def\polymerdelim at a[#1]#2#3{%
- \CF at resetdelim
- \CF at doifnotempty{#1}{\setKV[CFdelimiters]{#1}}%
- \expandafter\expandafter\expandafter\CF at grab@delim\useKV[CFdelimiters]{delimiters}()\@nil
- \edef\CF at delim@height{\the\dimexpr\useKV[CFdelimiters]{height}}%
- \CF at eexp@macroarg\CF at ifempty{\useKV[CFdelimiters]{depth}}
- {\let\CF at delim@depth\CF at delim@height}
- {\edef\CF at delim@depth{\the\dimexpr\useKV[CFdelimiters]{depth}}}%
- \edef\CF at delim@halfdim{\the\dimexpr(\CF at delim@height+\CF at delim@depth)/2}%
- \edef\CF at delim@vshift {\the\dimexpr(\CF at delim@height-\CF at delim@depth)/2}%
- \edef\CF at leftdelim@xshift{\the\dimexpr\useKV[CFdelimiters]{open xshift}}%
- \CF at eexp@macroarg\CF at ifempty{\useKV[CFdelimiters]{close xshift}}
- {\edef\CF at rightdelim@xshift{\the\dimexpr-\useKV[CFdelimiters]{open xshift}}}
- {\edef\CF at rightdelim@xshift{\the\dimexpr-\useKV[CFdelimiters]{close xshift}}}%
- \chemmove{%
- \nulldelimiterspace0pt
- \pgfextractx\CF at dim{\pgfpointanchor{#2}{center}}\edef\CF at leftdelim@x{\the\CF at dim}%
- \pgfextracty\CF at dim{\pgfpointanchor{#2}{center}}\edef\CF at leftdelim@y{\the\CF at dim}%
- \pgfextractx\CF at dim{\pgfpointanchor{#3}{center}}\edef\CF at rightdelim@x{\the\CF at dim}%
- \node[at={(\CF at leftdelim@x+\CF at leftdelim@xshift,\CF at leftdelim@y+\CF at delim@vshift)}]
- {$\left\CF at left@delim\vrule height\CF at delim@halfdim depth\CF at delim@halfdim width0pt\right.$};%
- \node[at={(\CF at rightdelim@x+\CF at rightdelim@xshift,\CF at leftdelim@y+\CF at delim@vshift)}]
- {$\left.\vrule height\CF at delim@halfdim depth\CF at delim@halfdim width0pt\right\CF at right@delim
- \CF at eexp@macroarg\CF at doifnotempty{\useKV[CFdelimiters]{indice}}
- {_{\rlap{$\scriptstyle\useKV[CFdelimiters]{indice}$}}}
- $};
- }%
-}
-
\CFrestorecatcode
\endinput
@@ -2403,7 +2653,7 @@
- la commande \merge est d\xE9sormais prot\xE9g\xE9e entre
\schemestart et \schemestop contre des d\xE9finitions par d'autres
packages.
- - \box\z@ est utilis\xE9 au lieu du maladroit \unhbox\z@
+ - \box0 est utilis\xE9 au lieu du maladroit \unhbox0
----------------------------------------------------------------------
v1.0c 2011/11/30
- la macro \+ n'est plus explicitement \xE9crite
@@ -2425,13 +2675,13 @@
pas correctement g\xE9r\xE9s.
----------------------------------------------------------------------
v1.0g 2012/11/16
- - correction d'un bug dans \CF at direct@arrow pour faire prendre en
+ - correction d'un bug dans \CF_directarrow pour faire prendre en
compte le style des fl\xE8che par d\xE9faut
- - correction d'un bug dans \CF at lewis@c : la boite *doit* \xEAtre
+ - correction d'un bug dans \CF_lewisc : la boite *doit* \xEAtre
compos\xE9e en dehors de l'environnement tikzpicture pour
\xE9viter nullfont si jamais \printatom ne passe pas en mode
math.
- - correction d'un bug dans \CF at chemfig@e : si une longueur par
+ - correction d'un bug dans \CF_chemfigc : si une longueur par
d\xE9faut est modifi\xE9e par [,<l>] au d\xE9but d'une mol\xE9cule
et si des cycles \xE9taient emboit\xE9s, cette longueur n'\xE9tait
pas appliqu\xE9e aux sous-cycles.
@@ -2443,20 +2693,20 @@
v1.0h 2013/11/28
- \chemname admet maintenant une version \xE9toil\xE9 qui ne tient
pas compte des profondeurs pr\xE9c\xE9dentes.
- - \CF at dp@max est g\xE9r\xE9 globalement.
+ - \CF_dpmax est g\xE9r\xE9 globalement.
- correction d'un bug dans "-U>" : le style de la fl\xE8che
n'\xE9tait pris en compte pour l'arc.
- - correction d'un bug dans \CF at direct@arrow : l'angle de la
+ - correction d'un bug dans \CF_directarrow : l'angle de la
fl\xE8che n'\xE9tait pas calcul\xE9
----------------------------------------------------------------------
v1.1 2015/02/13
- - correction d'un bug dans \CF at seek@submol : la macro
- \CF at remain@molecule est d\xE9pouill\xE9 de son \xE9ventuel espace
+ - correction d'un bug dans \CF_seeksubmol : la macro
+ \CF_molecule est d\xE9pouill\xE9 de son \xE9ventuel espace
en premi\xE8re position.
- - correction d'un bug dans \CF at arrow@f : le nom du prochain
+ - correction d'un bug dans \CF_arrowf : le nom du prochain
n?ud courant "end at arrow@i" \xE9tait erron\xE9 dans le cas o\xF9 une
fl\xE8che contenait un sous sch\xE9ma. Ce nom doit d\xE9pendre de
- \CF at scheme@nest.
+ \CF_schemenest.
- la jonction entre deux liaisons cons\xE9cutives dans l'axe peut
\xEAtre activ\xE9 avec \enablebondjoin et d\xE9sactiv\xE9 avec
\disablebondjoin (pr\xE9f\xE9rable, \xE9tat par d\xE9faut).
@@ -2469,9 +2719,9 @@
\disablefixedbondlength le d\xE9sactive.
----------------------------------------------------------------------
v1.1a 2015/02/23
- - correction d'un bug dans \CF at grab@bondoffset. Si \chemfig est
+ - correction d'un bug dans \CF_grabbondoffset. Si \chemfig est
dans l'argument d'une macro, les # sont doubl\xE9s par l'action
- de \scantokens de la macro \CF at chemfig@d et il faut un
+ de \scantokens de la macro \CF_chemfigb et il faut un
argument d\xE9limit\xE9 avant "(" pour absorber tous les #.
----------------------------------------------------------------------
v1.2 2015/10/08
@@ -2479,7 +2729,7 @@
- cr\xE9ation de \setangleincrement.
- chargement de "arrows.meta" et d\xE9finition de la fl\xE8che "CF"
bas\xE9e sur "Stealth" et d\xE9finie avec \pgfdeclarearrow.
- Les anciennes fl\xE8ches "CF at full" et "CF at half" sont
+ Les anciennes fl\xE8ches "CF_full" et "CF_half" sont
abandonn\xE9es puisque d\xE9finies avec \pgfarrowsdeclare.
- fl\xE8che "-U>" corrig\xE9e : le placement des labels est
maintenant correct dans tous les cas. Ainsi :
@@ -2490,7 +2740,7 @@
- compatibilit\xE9, avec les limitations d'usage, avec la
librairie "externalize" : le \begin{tikzpicture} voit
d\xE9sormais le \end{tikzpicture} correspondant dans la macro
- \CF at chemfig@d.
+ \CF_chemfigb.
----------------------------------------------------------------------
v1.2a 2015/10/21
- erreur de copier-coller dans le code: une adresse url \xE9tait
@@ -2498,16 +2748,16 @@
code
----------------------------------------------------------------------
v1.2b 2015/11/15
- - bug dans \CF at seek@submol qui laissait "*" dans le flux de
+ - bug dans \CF_seeksubmol qui laissait "*" dans le flux de
lecture de TeX. Un message d'erreur est \xE9galement ajout\xE9
en cas de "!" en fin de traitement.
- - correction d'un bug dans \CF at set@bondangle o\xF9 l'angle [<:a>]
+ - correction d'un bug dans \CF_setbondangle o\xF9 l'angle [<:a>]
n'\xE9tait pas \xE9valu\xE9 par \pgfmathsetmacro.
----------------------------------------------------------------------
v1.2c 2015/11/20
- - Correction d'un bug dans \CF at set@bondangle : l'angle renvoy\xE9
+ - Correction d'un bug dans \CF_setbondangle : l'angle renvoy\xE9
pouvait \xEAtre n\xE9gatif
- - Correction d'un bug dans \CF at direct@arrow : la macro \CF at ifempty
+ - Correction d'un bug dans \CF_directarrow : la macro \CF_ifempty
n'est pas correctement d\xE9velopp\xE9e dans l'argument de
\pgfpointanchor
----------------------------------------------------------------------
@@ -2519,7 +2769,7 @@
----------------------------------------------------------------------
v1.2e 2017/05/20
- la macro contenant la d\xE9finition d'une fl\xE8che est
- d\xE9sormais "\CF at arrow(<nom>)", ainsi la macro \0 n'est plus
+ d\xE9sormais "\CF_arrow(<nom>)", ainsi la macro \0 n'est plus
d\xE9finie par \definearrow
- remerciements rajout\xE9s apr\xE8s une suppression indue, pour ne
froisser aucune susceptibilit\xE9
@@ -2543,24 +2793,43 @@
- 6 nouveaux param\xE8tres : "lewis radius", "arrow double sep",
"arrow double coeff", "arrow double harpoon", "cycle radius
coeff", "arrow head".
- - correction d'un bug dans \CF at parse@mergeopt qui dans certains
+ - correction d'un bug dans \CF_parsemergeopt qui dans certains
cas, envoyait vers l'affichage des caract\xE8res
- petit toilettage du code
- macro \polymerdelim (non document\xE9e) exp\xE9rimentale et encore
en phase de tests
- suppression d'un registre d'\xE9criture de fichier
- ----------------------------------------------------------------------
+----------------------------------------------------------------------
v1.31 2018/04/05
- - correction d'un espace ind\xE9sirable dans \CF at ifnextchar
- ----------------------------------------------------------------------
+ - correction d'un espace ind\xE9sirable dans \CF_ifnextchar
+----------------------------------------------------------------------
v1.32 2018/08/23
- - d\xE9finition de \printatom, \CF at begin@tikzpicture et
- \CF at end@tikzpicture dans le fichier t-chemfig.tex
- ----------------------------------------------------------------------
+ - d\xE9finition de \printatom, \CF_begintikzpicture et
+ \CF_endtikzpicture dans le fichier t-chemfig.tex
+----------------------------------------------------------------------
v1.33 2018/10/31
- les macros d\xE9finies par \definesubmol peuvent d\xE9sormais avoir un ou
plusieurs arguments
- macro \polymerdelim document\xE9e
- ----------------------------------------------------------------------
+----------------------------------------------------------------------
v1.34 2019/02/23
- - bug dans la fl\xE8che "<->" corrig\xE9
\ No newline at end of file
+ - bug dans la fl\xE8che "<->" corrig\xE9
+----------------------------------------------------------------------
+v1.4 2019/04/18
+ - corrections de nombreux bugs
+ - caract\xE8re priv\xE9 "_" et non plus "@" -> modifications \xE0 pr\xE9voir
+ notamment dans la doc avec les codes sp\xE9cifiques aux fl\xE8ches, \xE7a
+ risque de couiner sur tex.stackexchange.com
+ - anciennes macros abandonn\xE9es et d\xE9sormais ind\xE9finies :
+ \setcrambond, \setatomsep, \setbondoffset, \setdoublesep,
+ \setangleincrement, \enablefixedbondlength,
+ \disablefixedbondlength, \setnodestyle, \setbondstyle,
+ \setlewis, \setlewisdist, \setstacksep, \setcompoundstyle,
+ \setarrowdefault, \setandsign, \setarrowoffset,
+ \setcompoundsep, \setarrowlabelsep, \enablebondjoin,
+ \disablebondjoin et \schemedebug
+ - l'ancienne syntaxe \chemfig[][]{} est abandonn\xE9e et n'est plus
+ accept\xE9e, d\xE9sormais c'est
+ \chemfig[<cl\xE9s>=<valeurs>]{<code mol\xE9cule>}
+ - l'ancienne syntaxe \lewis[<coeff>] ou \Lewis[<coeff>] n'est
+ plus accept\xE9e au profit de \lewis[<cl\xE9s>=<valeurs>]
\ No newline at end of file
Modified: trunk/Master/texmf-dist/tex/generic/chemfig/t-chemfig.tex
===================================================================
--- trunk/Master/texmf-dist/tex/generic/chemfig/t-chemfig.tex 2019-05-04 21:11:40 UTC (rev 50982)
+++ trunk/Master/texmf-dist/tex/generic/chemfig/t-chemfig.tex 2019-05-04 21:12:17 UTC (rev 50983)
@@ -1,5 +1,5 @@
\usemodule[tikz]%
\input chemfig.tex
-\expandafter\let\csname CF at begin@tikzpicture\endcsname\starttikzpicture
-\expandafter\let\csname CF at end@tikzpicture\endcsname\stoptikzpicture
+\expandafter\let\csname CF\string_begintikzpicture\endcsname\starttikzpicture
+\expandafter\let\csname CF\string_endtikzpicture\endcsname\stoptikzpicture
\endinput
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