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diff --git a/Master/texmf-dist/tex/generic/chemfig/chemfig.tex b/Master/texmf-dist/tex/generic/chemfig/chemfig.tex new file mode 100644 index 00000000000..870b9d1b5f0 --- /dev/null +++ b/Master/texmf-dist/tex/generic/chemfig/chemfig.tex @@ -0,0 +1,1504 @@ +% __________________________________________________________________ +% | | +% | | +% | chemfig v0.4 | +% | | +% | March 7, 2011 | +% | | +% |__________________________________________________________________| +% +% This is chemfig.tex, the code of the "chemfig" package. +% +% Maintainer: Christian Tellechea +% E-mail : unbonpetit@gmail.com +% Comments, bug reports and suggestions are welcome. +% Licence : Released under the LaTeX Project Public License v1.3c or +% later, see http://www.latex-project.org/lppl.txt +% Copyright : Christian Tellechea 2010-2011 +% +% The "chemfig" package consists of the 8 following files: +% chemfig.tex (this file) +% chemfig.sty (the package file for LaTeX) +% t-chemfig.tex (the package file for conTeXt) +% README +% chemfig_doc_en.tex, chemfig_doc_en.pdf (english manual) +% chemfig_doc_fr.tex, chemfig_doc_fr.pdf (manual in french) +% +% -------------------------------------------------------------------- +% This work may be distributed and/or modified under the +% conditions of the LaTeX Project Public License, either version 1.3 +% of this license or (at your option) any later version. +% The latest version of this license is in +% +% % http://www.latex-project.org/lppl.txt +% +% and version 1.3 or later is part of all distributions of LaTeX +% version 2005/12/01 or later. +% -------------------------------------------------------------------- +% This work has the LPPL maintenance status `maintained'. +% +% The Current Maintainer of this work is Christian Tellechea +% -------------------------------------------------------------------- +% +% Sauvegarde tous les catcodes des caract\`eres sp\'eciaux sauf # + +\begingroup +\def\X#1{\catcode\number`#1=\number\catcode`#1\relax} +% Sauve tous les catcode sauf # +\expandafter\xdef\csname CF@savedcatcode\endcsname{% + \X\[\X\]\X\:\X\(\X\)\X\,\X\-\X\=\X\~\X\!\X\?\X\<\X\>\X\;\X\*\X\|\X\@% +} +\endgroup + +% Pour la dur\'ee de lecture du package, changer les catcodes : +\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 + +\def\CF@def#1{% + \ifdefined#1% + \errmessage{Package chemfig Error: the macro \string#1\space is already defined. Please, email the author.}% + \fi + \def#1% +} + +\CF@def\CF@ver {0.4} +\CF@def\CF@date {2011/03/07} +\CF@def\CF@fr@date {7 mars 2011} +\CF@def\CF@en@date {March 7, 2011} +\CF@def\CF@package@name{chemfig} + +\expandafter\ifx\csname @latexerr\endcsname\relax% on n'utilise pas LaTeX ? + \ifdefined\tikzpicture\else + \def\CF@next@action{\input tikz.tex}% + \expandafter\CF@next@action + \fi + \immediate\write\m@ne{Package: \CF@package@name\space\CF@date\space\space v\CF@ver\space\space Draw molecule with an easy syntax}% + \long\def\@firstoftwo#1#2{#1} + \long\def\@secondoftwo#1#2{#2} + \long\def\@firstofone#1{#1} + \long\def\@gobble#1{} + \long\def\@gobbletwo#1#2{} + \def\@car#1#2\@nil{#1} + \def\@makeother#1{\catcode`#1=12\relax} + \long\def\@ifnextchar#1#2#3{% + \let\reserved@d=#1% + \def\reserved@a{#2}% + \def\reserved@b{#3}% + \futurelet\@let@arg\@ifnch} + \def\@ifnch{% + \ifx\@let@arg\@sptoken + \let\reserved@c\@xifnch + \else + \ifx\@let@arg\reserved@d + \let\reserved@c\reserved@a + \else + \let\reserved@c\reserved@b + \fi + \fi + \reserved@c} + \def\:{\let\@sptoken= } \: + \def\:{\@xifnch} \expandafter\def\: {\futurelet\@let@arg\@ifnch} + \def\@ifstar#1{\@ifnextchar *{\@firstoftwo{#1}}} + \long\def\@testopt#1#2{\@ifnextchar[{#1}{#1[{#2}]}} + \def\@empty{} + \def\space{ } + \CF@def\printatom#1{\ifmmode\rm#1\else$\rm#1$\fi}% \printatom pour TeX et ConTeXt +\else% fin des d\'efinitions LaTeX + \CF@def\printatom#1{\ensuremath{\mathrm{#1}}}% \printatom pour LaTeX. +\fi + +\newcount\CF@cnt@atomingroup +\newcount\CF@cnt@groupnumber +\newcount\CF@cnt@atomnumber +\newcount\CF@cnt@cycle + +\newif\ifCF@incycle +\newif\ifCF@cyclearc +\newif\ifCF@definesubmol + +\newdimen\CF@dim + +\newbox\CF@lewis@box +\newbox\CF@box@boxa +\newbox\CF@box@boxb +\newbox\CF@stuff@box + +\newwrite\CF@unused + +\CF@def\CF@specialchar@list{\[\]\:\(\)\,\-\=\~\!\?\<\>\;\*\|\#\@} + +\CF@def\CF@sanitize@catcode{% + \expandafter\CF@sanitize@catcode@i\expandafter{\CF@specialchar@list}% +} + +\CF@def\CF@sanitize@catcode@i#1{% + \ifx\@empty#1\@empty + \else + \expandafter\@makeother\@car#1\@nil + \CF@swap@fi + \expandafter\CF@sanitize@catcode@i\expandafter{\@gobble#1}% + \fi +} + +\CF@def\CF@save@catcode{% + \let\CF@restore@catcode\@empty + \expandafter\CF@save@catcode@i\expandafter{\CF@specialchar@list}% +} + +\CF@def\CF@save@catcode@i#1{% + \ifx\@empty#1\@empty + \else + \CF@edefadd@tocs\CF@restore@catcode{\catcode`\expandafter\noexpand\@car#1\@nil=\number\expandafter\catcode\expandafter`\@car#1\@nil\noexpand\space}% + \CF@swap@fi + \expandafter\CF@save@catcode@i\expandafter{\@gobble#1}% + \fi +} + +\CF@def\CF@node@content{\expandafter\printatom\expandafter{\csname atom@\number\CF@cnt@atomnumber\endcsname\CF@node@strut}} + +\CF@def\chemskipalign{% + \ifx\CF@bond@outcontentsaved\@empty% sauf si un \chemskipalign a \'et\'e fait \`a l'atome pr\'ec\'edent + \global\let\CF@bond@outcontentsaved\CF@bond@outcontent% sauvegarder l'atome d'o\`u vient la liaison + \fi + \let\CF@node@strut\@empty +} + +\CF@def\CF@empty@node{{}} + +\CF@def\CF@cycle@inraduiscoeff{0.75}% coeff multiplicateur du rayon des arcs dans les cycles + +\CF@def\setcrambond#1#2#3{% + \def\CF@cram@basewidth{#1}% + \ifx\@empty#2\@empty\def\CF@cram@dashlength{1pt}\else\def\CF@cram@dashlength{#2}\fi + \ifx\@empty#3\@empty\def\CF@cram@dashsep{2pt}\else\def\CF@cram@dashsep{#3}\fi} +\setcrambond{}{}{} + +\CF@def\setatomsep{\def\CF@atom@sep}% espacement des atomes li\'es +\setatomsep{} + +\CF@def\setbondoffset{\def\CF@bond@offset}% offset des liaisons +\setbondoffset{2pt} + +\CF@def\setdoublesep{\def\CF@double@sep} +\setdoublesep{2pt} + +\CF@def\definesubmol{\CF@definesubmoltrue\CF@def@submol} +\CF@def\redefinesubmol{\CF@definesubmolfalse\CF@def@submol} + +\CF@def\CF@def@submol#1{% + \begingroup + \def\CF@tmp@str{#1}% + \catcode`[\@ne\catcode`]\tw@ + \futurelet\CF@toks@a\CF@test@nxttok +} + +\CF@def\CF@test@nxttok{% + \if[\noexpand\CF@toks@a + \expandafter\expandafter\expandafter\CF@grab@optalias\expandafter\expandafter\expandafter{\expandafter\CF@tmp@str\expandafter}% + \else + \CF@swap@fi + \expandafter\endgroup + \expandafter\CF@def@submol@i\expandafter{\CF@tmp@str}{}% + \fi +} + +\CF@def\CF@grab@optalias#1#2{% + \endgroup + \begingroup + \everyeof{\@nil}\endlinechar\m@ne + \expandafter\assign@tonil\expandafter\CF@tmp@str\scantokens{#2}% + \CF@expand@second{\endgroup\CF@def@submol@i{#1}}\CF@tmp@str +} + +\CF@def\CF@def@submol@i#1#2#3{% #1 nom, #2 = code si liaison arrive de droite , #3 = code si liaison arrive de gauche + \ifcat\relax\expandafter\noexpand\@car#1\@nil% si #1 est une s\'equence de contr\^ole + \expandafter\ifdefined\@car#1\@nil + \ifCF@definesubmol + \immediate\write\CF@unused{Package \CF@package@name\space Warning: the macro \expandafter\string\@car#1\@nil\space is already defined, the previous definition is lost on input line \the\inputlineno.}% + \fi + \fi + \ifx\@empty#2\@empty + \expandafter\def\@car#1\@nil{\@empty#3}% + \else + \expandafter\def\@car#1\@nil{% + \romannumeral + \ifdim\CF@current@angle pt>90pt + \ifdim\CF@current@angle pt<270pt + \expandafter\expandafter\expandafter\@firstoftwo + \else + \expandafter\expandafter\expandafter\@secondoftwo + \fi + \else + \expandafter\@secondoftwo + \fi + {\z@#2}{\z@#3}}% + \fi + \else + \ifcsname CF@@#1\endcsname + \ifCF@definesubmol + \immediate\write\CF@unused{Package \CF@package@name\space Warning:the submol "#1" is already defined, the previous definition is lost on input line \the\inputlineno.}% + \fi + \fi + \ifx\@empty#2\@empty + \expandafter\def\csname CF@@#1\endcsname{\@empty#3}% "\@empty" car tout ça sera 1-d\'evelopp\'e lorsque rencontr\'ee + \else + \expandafter\def\csname CF@@#1\endcsname{% + \romannumeral% donnera le d\'eveloppement souhait\'e en 1 coup + \ifdim\CF@current@angle pt>90pt + \ifdim\CF@current@angle pt<270pt + \expandafter\expandafter\expandafter\@firstoftwo + \else + \expandafter\expandafter\expandafter\@secondoftwo + \fi + \else + \expandafter\@secondoftwo + \fi + {\z@#2}{\z@#3}}% + \fi + \fi +} + +\CF@def\CF@if@integer#1{% + \begingroup + \afterassignment\CF@after@integer + \CF@cnt@cycle0#1\relax +} + +\CF@def\CF@after@integer#1\relax{% + \endgroup + \ifx\@empty#1\@empty\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi +} + +\CF@def\CF@swap@fi#1\fi{\fi#1} + +\CF@def\CF@gobble@tonil#1\@nil{} + +\CF@def\CF@expafterarg@ntimes#1#2#3{% + \CF@expafterarg@ntimes@i{#1}{#3}% + \expandafter\CF@swap@arg\expandafter{\CF@tmp@str}{#2}% +} + +\CF@def\CF@expafterarg@ntimes@i#1#2{% + \ifnum#1=\z@ + \def\CF@tmp@str{#2}% + \else + \CF@swap@fi + \expandafter\CF@expafterarg@ntimes@i\expandafter{\number\numexpr#1-1\expandafter}\expandafter{#2}% + \fi +} + +\CF@def\CF@swap@arg#1#2{#2{#1}} + +\CF@def\CF@expand@second#1#2{\expandafter\CF@swap@arg\expandafter{#2}{#1}} + +\CF@def\CF@swap@char#1#2{#2#1} + +\CF@def\CF@expand@afterfirst#1#2{\expandafter\CF@swap@char\expandafter{#2}{#1}} + +\CF@def\CF@edef@second#1#2{% + \edef\CF@tmp@str{#2}% + \expandafter\CF@swap@char\expandafter{\CF@tmp@str}{#1}% +} + +\CF@def\CF@add@tocs#1#2{\expandafter\def\expandafter#1\expandafter{#1#2}} + +\CF@def\CF@expadd@tocs#1#2{\expandafter\CF@add@tocs\expandafter#1\expandafter{#2}} + +\CF@def\CF@edefadd@tocs#1#2{% + \edef\CF@tmp@str{#2}% + \expandafter\CF@add@tocs\expandafter#1\expandafter{\CF@tmp@str}% +} + +\CF@def\CF@if@firsttokmatch#1#2{% est ce que #1 et #2 commencent par les mêmes tokens ? + \futurelet\CF@toks@a\CF@gobble@tonil#1\relax\@nil + \futurelet\CF@toks@b\CF@gobble@tonil#2\relax\@nil + \ifx\CF@toks@a\CF@toks@b\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi +} + +\CF@def\CF@if@firsttokin#1{% teste si le token qui commence #1 appartient aux tokens mis dans #2 + \futurelet\CF@toks@a\CF@gobble@tonil#1\relax\@nil + \CF@if@firsttokin@i +} + +\CF@def\CF@if@firsttokin@i#1{% + \ifx\@empty#1\@empty + \expandafter\@secondoftwo + \else + \futurelet\CF@toks@b\CF@gobble@tonil#1\relax\@nil + \ifx\CF@toks@a\CF@toks@b + \expandafter\expandafter\expandafter\@firstoftwo + \else + \CF@swap@fi\CF@swap@fi + \expandafter\CF@if@firsttokin@i\expandafter{\@gobble#1}% + \fi + \fi +} + +\CF@def\CF@if@instr#1#2{% + \def\CF@if@instr@i##1#2##2\@nil{\ifx\@empty##2\@empty\expandafter\@secondoftwo\else\expandafter\@firstoftwo\fi}% + \CF@if@instr@i#1\@@nil#2\@nil +} + +\CF@def\CF@after@space#1 #2\@nil{#2} + +\CF@def\CF@seek@node#1#2#3{% cherche un noeud au d\'ebut de #1 l'assigne dans la sc #2 et met le reste dans #3 + \let#2\@empty + \def#3{#1}% + \futurelet\CF@toks@a\CF@gobble@tonil#1\relax\@nil + \ifx\CF@toks@a\@sptoken\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\expandafter\CF@seek@node@i\expandafter{\CF@after@space#1\@nil}#2#3}% ignore l'espace qui commence un groupe d'atome + {\CF@seek@node@i{#1}#2#3}% +} + +\CF@def\CF@seek@node@i#1#2#3{% + \ifx\@empty#1\@empty + \let#3\@empty + \else + \futurelet\CF@toks@a\CF@gobble@tonil#1\relax\@nil + \ifx\CF@toks@a\@sptoken\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\CF@add@tocs#2{ }% + \CF@swap@fi\expandafter\CF@seek@node@i\expandafter{\CF@after@space#1\@nil}#2#3% + }% + {\ifx\CF@toks@a\bgroup\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\CF@expadd@tocs#2{\expandafter{\@car#1\@nil}}% + \CF@swap@fi\expandafter\CF@seek@node@i\expandafter{\@gobble#1}#2#3% + }% + {\CF@if@firsttokin@i{-=(*<>!~}% + {\def#3{#1}}% + {\CF@expadd@tocs#2{\@car#1\@nil}% + \CF@swap@fi\expandafter\CF@seek@node@i\expandafter{\@gobble#1}#2#3% + }% + }% + }% + \fi +} + +% on sait que #1 commence par -,=,~,<,>. On analyse cette liaison +% #2 reçoit le type de liaisons (1 pour -, 2 pour =, 3 pour ~) +\CF@def\CF@bond@findnum#1#2{% + \futurelet\CF@toks@a\CF@gobble@tonil#1\@nil + \edef#2{% + \ifx-\CF@toks@a1% + \else + \ifx=\CF@toks@a2% + \else + \ifx~\CF@toks@a3% + \else + \ifx>\CF@toks@a4% + \else + \ifx<\CF@toks@a5% + \else0% si 0 --> il y a une erreur non dûe \`a l'utilisateur + \fi + \fi + \fi + \fi + \fi}% + \ifnum#2>\thr@@% si c'est une liaison de Cram + \expandafter\futurelet\expandafter\CF@toks@a\expandafter\CF@gobble@tonil\@gobble#1\@nil% chope le caract\`ere suivant + \ifx:\CF@toks@a + \edef#2{\number\numexpr#2+2}% si c 'est un ":", signe du pointill\'e, ajoute 2 + \else + \ifx|\CF@toks@a + \edef#2{\number\numexpr#2+4}% si c 'est un "|", signe du triangle \'evid\'e, ajouter 4 + \fi + \fi + \fi +} + +\CF@def\CF@analyse@bondoffset#1,#2\@nil{% + \def\CF@start@offset{#1}\def\CF@end@offset{#2}% +} + +\expandafter\CF@def\expandafter\CF@grab@bondoffset\string#(#1)#2\@nil{% + \ifx\@empty#1\@empty + \else + \CF@if@instr{#1},% + {\CF@analyse@bondoffset#1\@nil}% + {\def\CF@start@offset{#1}}% + \fi + \def\CF@remain@afterbond{#2}% +} + +\CF@def\CF@analyse@bond#1#2{% + \CF@bond@findnum{#1}#2% + \expandafter\def\expandafter\CF@remain@afterbond\expandafter{\@gobble#1}%mange le premier signe de la liaison + \let\CF@doublebond@type\z@ + \ifnum#2=\tw@% si c'est une double liaison, regarde s'il y a un + ou - derri\`ere + \expandafter\futurelet\expandafter\CF@toks@a\expandafter\CF@gobble@tonil\@gobble#1\@nil + \ifx^\CF@toks@a + \let\CF@doublebond@type\@ne + \expandafter\def\expandafter\CF@remain@afterbond\expandafter{\@gobbletwo#1}% mange le "^" + \else + \ifx_\CF@toks@a + \let\CF@doublebond@type\tw@ + \expandafter\def\expandafter\CF@remain@afterbond\expandafter{\@gobbletwo#1}% mange le "_" + \fi + \fi + \else + \ifnum#2>5 % si c'est une laision de Cram pointill\'ee ou triangle \'evid\'e + \expandafter\def\expandafter\CF@remain@afterbond\expandafter{\@gobbletwo#1}% mange un caract\`ere de plus + \fi + \fi + \expandafter\expandafter\expandafter\CF@if@firsttokmatch\expandafter\expandafter\expandafter{\expandafter\CF@remain@afterbond\expandafter}\string##% + {\expandafter\CF@grab@bondoffset\CF@remain@afterbond\@nil}% + \relax + \expandafter\expandafter\expandafter\CF@if@firsttokmatch\expandafter\expandafter\expandafter{\expandafter\CF@remain@afterbond\expandafter}\string @% + {\expandafter\CF@grab@movearg\CF@remain@afterbond\@nil}% + \relax + \expandafter\CF@if@firsttokmatch\expandafter{\CF@remain@afterbond}[% + {\expandafter\CF@analyse@optarg\CF@remain@afterbond\@nil\CF@remain@afterbond}% + {\let\CF@current@stringangle\CF@default@stringangle + \let\CF@current@length\CF@default@length + \let\CF@current@fromatom\CF@default@fromatom + \let\CF@current@toatom\CF@default@toatom + \let\CF@current@tikz\CF@default@tikz + \let\CF@movebond@name\@empty + }% + \ifCF@incycle + \pgfmathparse{360/\CF@cycle@num+\CF@initcycle@angle}% + \edef\CF@current@stringangle{::+\pgfmathresult}% + \def\CF@initcycle@angle{0}% + \let\CF@current@length\CF@default@length% et on ignore la longueur de liaison sp\'ecifi\'ee + \fi + \expandafter\CF@set@bondangle\expandafter{\CF@current@stringangle}\CF@current@angle +} + +\CF@def\CF@set@bondangle#1#2{% le code de la direction est contenu dans #1, en sortie, #2 contient l'angle + \ifx\@empty#1\@empty% + \let#2\CF@default@angle + \else + \if:\expandafter\noexpand\@car#1\@nil + \if:\expandafter\expandafter\expandafter\noexpand\expandafter\@car\@gobble#1\@nil + \pgfmathparse{\CF@previous@angle+\expandafter\@gobble\@gobble#1}% + \let#2\pgfmathresult + \else + \expandafter\def\expandafter#2\expandafter{\@gobble#1} + \fi% puis normalise l'angle entre 0 et 360 + \ifdim\ifdim#2pt<\z@-\fi#2pt>360pt % si |#2|>360 + \pgfmathparse{#2-360*floor(#2/360)}% + \ifdim\pgfmathresult pt<\z@\pgfmathparse{\pgfmathresult+360}\fi + \let#2\pgfmathresult + \else + \ifdim#2pt<\z@ + \pgfmathparse{#2+360}% + \let#2\pgfmathresult + \fi + \fi + \else + \ifnum#1>7 + \pgfmathparse{#1-floor(#1/8)*8}% + \ifdim\pgfmathresult pt<\z@\pgfmathparse{\pgfmathresult+8}\fi + \edef#2{\ifcase\expandafter\CF@int@part\pgfmathresult\@nil0\or45\or90\or135\or180\or225\or270\or315\else-1\fi}% angle =-1 --> erreur + \else + \edef#2{\ifcase#1 0\or45\or90\or135\or180\or225\or270\or315\else-1\fi}% + \fi + \fi + \fi +} + +\CF@def\CF@int@part#1.#2\@nil{#1 } + +\CF@def\CF@analyse@movearg#1,#2\@nil#3{% + \def#3{#1}\def\CF@movebond@coeff{#2}% +} + +% Argument limit\'es l\'egitimes ici car #2 (qui est ce qui suit "@{<nom>}" dans l'argument optionnel) ne DOIT +% pas commencer par une accolade. +\expandafter\CF@def\expandafter\CF@grab@movearg\string @#1#2\@nil{% + \CF@if@instr{#1},% + {\CF@analyse@movearg#1\@nil\CF@movebond@name}% + {\def\CF@movebond@name{#1}\def\CF@movebond@coeff{0.5}}% + \def\CF@remain@optarg{#2}% +} + +\CF@def\CF@testempty@andassign#1#2#3{\ifx\@empty#2\@empty\let#1#3\else\def#1{#2}\fi} + +\CF@def\CF@sanitize@lastitem#1,\@empty#2\@nil{#1} + +\CF@def\CF@parse@optlist#1,#2,#3,#4,#5\@nil{% + \CF@testempty@andassign\CF@current@stringangle{#1}\CF@default@stringangle + \CF@testempty@andassign\CF@current@length{#2}\CF@default@length + \CF@testempty@andassign\CF@current@fromatom{#3}\CF@default@fromatom + \CF@testempty@andassign\CF@current@toatom{#4}\CF@default@toatom + \expandafter\CF@testempty@andassign\expandafter\CF@current@tikz\expandafter{\CF@sanitize@lastitem#5,\@empty\@nil}\CF@default@tikz +}% + +\CF@def\CF@analyse@optarg[#1]#2\@nil#3{% + \ifx\@empty#1\@empty + \else + \CF@expand@afterfirst{\CF@if@firsttokmatch{#1}}{\string @}% + {\CF@grab@movearg#1\@nil}% + {\let\CF@movebond@name\@empty + \def\CF@remain@optarg{#1}}% + \expandafter\CF@parse@optlist\CF@remain@optarg,\@empty,\@empty,\@empty,\@empty\@nil + \def#3{#2}% + \fi +} + +\CF@def\CF@seek@submol{% + \expandafter\CF@if@firsttokmatch\expandafter{\CF@remain@molecule}!% + {\expandafter\expandafter\expandafter\def\expandafter\expandafter\expandafter + \CF@remain@molecule\expandafter\expandafter\expandafter{\expandafter\@gobble\CF@remain@molecule}% enl\`eve le ``!'' + \ifcat\relax\expandafter\expandafter\expandafter\noexpand\expandafter\@car\CF@remain@molecule\@nil + \CF@expafterarg@ntimes5{\def\CF@insert@submol}{\expandafter\@car\CF@remain@molecule\@nil}% + \else + \CF@expafterarg@ntimes3{\def\CF@insert@submol}{\csname CF@@\expandafter\@car\CF@remain@molecule\@nil\endcsname}% + \fi + \expandafter\expandafter\expandafter\def\expandafter\expandafter\expandafter\CF@remain@molecule\expandafter\expandafter\expandafter + {\csname CF@insert@submol\expandafter\expandafter\expandafter\endcsname\csname @gobble\expandafter\endcsname\CF@remain@molecule}% + \CF@seek@submol + }% + \relax +} + +\CF@def\CF@insert@emptygroup#1{% ins\`ere {} au d\'ebut de la sc #1 + \expandafter\def\expandafter#1\expandafter{\expandafter{\expandafter}#1}% +} + +\CF@def\CF@make@other#1{% + \ifx\@empty#1\@empty + \else + \expandafter\@makeother\@car#1\@nil + \CF@swap@fi + \expandafter\CF@make@other\expandafter{\@gobble#1}% + \fi +} + +\CF@def\chemfig{\@testopt\CF@chemfig@i{}} + +\CF@def\CF@chemfig@i[#1]{\@testopt{\CF@chemfig@ii[#1]}{}} + +\CF@def\CF@chemfig@ii[#1][#2]{% + \edef\CF@tmp@str{[remember picture,every node/.style={anchor=base,inner sep=0pt,outer sep=0pt,minimum size=0pt\ifx\@empty#2\@empty\else,#2\fi},baseline\ifx\@empty#1\@empty\else,#1\fi]}% + \expandafter\tikzpicture\CF@tmp@str + \begingroup + \let\CF@hook@list\@empty + \ifx\CF@atom@sep\@empty\def\CF@atom@sep{3em}\fi + \ifx\CF@cram@basewidth\@empty\def\CF@cram@basewidth{1.5ex}\fi + \CF@incyclefalse + \CF@cnt@groupnumber\z@ + \let\CF@last@action\z@% 0=d\'ebut du dessin 1=trac\'e d'un noeud 2=trac\'e d'une liaison + \let\CF@start@offset\@empty + \let\CF@end@offset\@empty + \let\CF@bond@outcontentsaved\@empty + \def\CF@cycle@anglecorrection{180/\CF@cycle@num}% + \everyeof{\@nil}\endlinechar\m@ne + \CF@sanitize@catcode + \CF@chemfig@iii +} + +\CF@def\CF@chemfig@iii#1{% + \CF@chemfig@iv{#1}% + \endtikzpicture + \let\CF@split@state\z@ +} + +\CF@def\CF@chemfig@iv#1{% #1 est le code de la mol\'ecule + \ifnum\CF@last@action=\thr@@ + \ifCF@incycle + \def\CF@default@angle{0}% + \else + \ifnum\CF@cnt@cycle=\z@% si c'est le d\'ebut d'un cycle + \pgfmathparse{\CF@previous@angle+180+\CF@cycle@anglecorrection}% on met la liaison \`a +180° + correction + \else + \pgfmathparse{\CF@previous@angle-90+180/\CF@cycle@num}% sinon \`a la bissectrice du sommet du cycle + \fi + \let\CF@default@angle\pgfmathresult + \fi + \let\CF@default@stringangle\@empty + \else + \def\CF@default@angle{0}% + \def\CF@default@stringangle{:0}% angle pris par d\'efaut si le champ est vide + \fi + \let\CF@current@angle\CF@default@angle + \ifCF@incycle\else\def\CF@default@length{1}\fi% longueur de la liaison par d\'efaut sauf pour un cycle o\`u on prend celle en cours + \let\CF@default@fromatom\@empty% numero de l'atome d'o\`u partent les liaisons par d\'efaut + \let\CF@default@toatom\@empty% num\'ero de l'atome o\`u arrivent les laisons par d\'efaut + \let\CF@default@tikz\@empty + \if[\expandafter\noexpand\@car#1\@nil + \CF@analyse@optarg#1\@nil\CF@remain@molecule + \expandafter\CF@set@bondangle\expandafter{\CF@current@stringangle}\CF@current@angle + \let\CF@default@angle\CF@current@angle + \let\CF@previous@angle\CF@current@angle + \unless\ifx\@empty\CF@current@stringangle\let\CF@default@angle\CF@current@angle\fi + \unless\ifx\@empty\CF@current@length\let\CF@default@length\CF@current@length\fi + \unless\ifx\@empty\CF@current@fromatom\let\CF@default@fromatom\CF@current@fromatom\fi + \unless\ifx\@empty\CF@current@toatom\let\CF@default@toatom\CF@current@toatom\fi + \unless\ifx\@empty\CF@current@tikz\let\CF@default@tikz\CF@current@tikz\fi + \else + \def\CF@remain@molecule{#1}% on prend tout puisque pas d'argument optionnel au d\'ebut + \fi% apr\`es l'argument entre crochet au d\'ebut, on passe \`a la suite + \ifCF@incycle% si on commence un cycle + \let\CF@current@angle\CF@previous@angle + \else + \let\CF@current@angle\CF@default@angle + \fi + \edef\CF@default@stringangle{:\CF@default@angle}% + \let\CF@current@length\CF@default@length + \let\CF@current@fromatom\CF@default@fromatom + \let\CF@current@toatom\CF@default@toatom + \let\CF@current@tikz\CF@default@tikz + \ifnum\CF@last@action=\z@ + \let\CF@previous@angle\CF@default@angle + \node(CF@node){}; + \expandafter\CF@if@firsttokin\expandafter{\CF@remain@molecule}{-=(*~?<>}% + {\CF@insert@emptygroup\CF@remain@molecule}% + \relax + \fi + \CF@chemfig@v +} + +\CF@def\CF@chemfig@v{% + \let\CF@next@action\CF@chemfig@v% \`a prioi, on reboucle + \ifx\CF@remain@molecule\@empty + \let\CF@next@action\endgroup + \else + \CF@seek@submol + \expandafter\CF@seek@node\expandafter{\CF@remain@molecule}\CF@current@atomgroup\CF@remain@molecule + \ifx\@empty\CF@current@atomgroup% pas de noeud pour commencer ? + \def\CF@bond@outnode{n\CF@last@groupnumber-% + \ifx\CF@current@fromatom\@empty + \ifdim\CF@current@angle pt<90pt \number\CF@cnt@atomingroup + \else\ifdim\CF@current@angle pt>270pt \number\CF@cnt@atomingroup\else1\fi + \fi + \else\CF@current@fromatom + \fi}% + \expandafter\futurelet\expandafter\CF@toks@a\expandafter\CF@gobble@tonil\CF@remain@molecule\relax\@nil + \CF@if@firsttokin@i{-=<>~}% la suite est une liaison + {\ifnum\CF@last@action=\tw@% c'est la deuxi\`eme liaison cons\'ecutive ? + \CF@insert@emptygroup\CF@remain@molecule% ins\`ere un groupe vide + \edef\CF@bond@outnode{\CF@bond@outnode}% + \else + \ifCF@incycle\advance\CF@cnt@cycle\@ne\fi + \expandafter\CF@analyse@bond\expandafter{\CF@remain@molecule}\CF@bond@type + \edef\CF@bond@outnode{\CF@bond@outnode}% + \let\CF@remain@molecule\CF@remain@afterbond + \ifCF@incycle + \ifnum\CF@cnt@cycle=\CF@cycle@num\relax + \expandafter\expandafter\expandafter\@firstoftwo + \else + \expandafter\expandafter\expandafter\@secondoftwo + \fi + \else + \expandafter\@secondoftwo + \fi + {\let\CF@next@action\endgroup + \CF@draw@bond\CF@bond@type{\CF@bond@outnode}{\CF@hook@cycle}\CF@previous@atomgroup\CF@hook@atomgroup + }% + {\node[at=(\CF@bond@outnode),shift=(\ifcase\CF@split@state\or180-\or-\fi\CF@current@angle:\CF@current@length*\CF@atom@sep)](CF@node){}; + \let\CF@previous@angle\CF@current@angle + \let\CF@last@action\tw@ + }% + \fi + \ifx\CF@remain@molecule\@empty% plus rien apr\`es la liaison -> ins\`ere un groupe vide + \CF@insert@emptygroup\CF@remain@molecule + \fi + }% + {\edef\CF@bond@outnode{\CF@bond@outnode}% \'evalue le l'atome de d\'epart de liaison + \ifx(\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi% une parenth\`ese pour commencer ? + {\ifnum\CF@last@action=\tw@% il y avait une liaison juste avant ? + \CF@insert@emptygroup\CF@remain@molecule + \else + \expandafter\CF@grab@submol\expandafter{\CF@remain@molecule}% + \begingroup + \ifCF@incycle\let\CF@last@action\thr@@\fi% on \'etait dans un cycle + \CF@incyclefalse + \aftergroup\CF@chemfig@v + \def\CF@next@action{\expandafter\CF@chemfig@iv\expandafter{\CF@sub@mol}}% + \fi + }% + {\ifx\CF@remain@molecule\@empty + \let\CF@next@action\endgroup + \else% ce qui reste apr\`es le noeud courant n'est pas vide, ne commence pas par "-=~", ni par une parenth\`ese + \ifx*\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi% un cycle ? + {\ifnum\CF@last@action=\tw@ + \CF@insert@emptygroup\CF@remain@molecule% ins\`ere un groupe vide + \else + \ifCF@incycle\let\CF@last@action\thr@@\fi% on \'etait dans un cycle + \ifnum\CF@last@action=\thr@@\let\CF@lastcycle@num\CF@cycle@num\fi + \CF@expafterarg@ntimes2\CF@if@firsttokmatch{\expandafter\@gobble\CF@remain@molecule}*% un 2\`e "*" ? + {\CF@expafterarg@ntimes2{\def\CF@remain@molecule}{\expandafter\@gobble\CF@remain@molecule}% enl\`eve la 1er \'etoile + \CF@expafterarg@ntimes2\CF@if@firsttokmatch{\expandafter\@gobble\CF@remain@molecule}[% un crochet ensuite ? + {\expandafter\CF@cycle@parsepreamblewithoptarg\CF@remain@molecule\@nil% \begingroup inclus + }% + {\def\CF@cyclearc@startangle{0}\def\CF@cyclearc@endangle{360}% + \let\CF@cyclearc@directtikz\@empty + \expandafter\CF@cycle@parsepreamble\CF@remain@molecule\@nil% \begingroup inclus + }% + \CF@cyclearctrue + }% + {\expandafter\CF@cycle@parsepreamble\CF@remain@molecule\@nil% \begingroup inclus + \CF@cyclearcfalse + }% + \CF@cnt@cycle\z@ + \edef\CF@hook@cycle{\CF@bond@outnode}% + \let\CF@hook@atomgroup\CF@previous@atomgroup + \CF@incycletrue + \ifnum\CF@last@action=\thr@@ + \pgfmathparse{360/\CF@lastcycle@num-180}% c'est un cycle dans un cycle + \else + \pgfmathparse{-180/\CF@cycle@num-90+\CF@cycle@anglecorrection}% + \fi + \let\CF@initcycle@angle\pgfmathresult + \ifCF@cyclearc% on doit tracer l'arc de cercle dans le cycle ? + \pgfmathparse{\CF@cycle@inraduiscoeff*\CF@current@length*\CF@atom@sep/(2*tan(180/\CF@cycle@num))}% + \let\CF@cyclearc@radius\pgfmathresult + \pgfmathparse{\CF@current@angle+\CF@initcycle@angle+180/\CF@cycle@num+90} + \let\CF@cyclearc@initangle\pgfmathresult + \pgfmathparse{\CF@current@length*\CF@atom@sep/(2*sin(180/\CF@cycle@num))}% + \node[at=(\CF@bond@outnode),shift=(\CF@cyclearc@initangle:\pgfmathresult pt)](arccenter){};% le centre de l'arc + \node[at=(arccenter),shift=(\CF@cyclearc@startangle:\CF@cyclearc@radius pt)](initarc){};% le d\'ebut de l'arc + \expandafter\draw\expandafter[\CF@cyclearc@directtikz](initarc) arc (\CF@cyclearc@startangle:\CF@cyclearc@endangle:\CF@cyclearc@radius pt); + \fi + \aftergroup\CF@chemfig@v + \def\CF@next@action{\expandafter\CF@chemfig@iv\expandafter{\CF@sub@mol}}% + \fi + }% + {\errmessage{Package \CF@package@name\space Error: something went wrong at this point: \detokenize\expandafter{\CF@remain@molecule}^^JIf you think it's a bug, please, send a Minimal Example to the author.}}% + \fi}% + }% + \else + \CF@expand@second{\CF@expand@second{\CF@expand@second\CF@draw@atomgroup\CF@current@angle}\CF@current@toatom}\CF@current@atomgroup + \fi + \fi + \CF@next@action +} + +\CF@def\CF@cycle@parsepreamble*#1#2\@nil{% + \ifnum#1<\thr@@ + \errmessage{Package \CF@package@name\space Error: A cycle must be at least a triangle.^^JThe number following "*" must be 3 or more}% + \fi + \def\CF@remain@molecule{#2}% + \expandafter\CF@grab@submol\expandafter{\CF@remain@molecule}% + \begingroup + \def\CF@cycle@num{#1}% +} + +\CF@def\CF@cycle@parsepreamblewithoptarg*[#1]#2#3\@nil{% + \CF@cycle@parseoptarg#1,\@empty,\@empty,\@empty\@nil + \CF@cycle@parsepreamble*#2#3\@nil +} + +\CF@def\CF@cycle@parseoptarg#1,#2,#3\@nil{% + \ifx\@empty#1\@empty\def\CF@cyclearc@startangle{0}\else\def\CF@cyclearc@startangle{#1}\fi + \ifx\@empty#2\@empty\def\CF@cyclearc@endangle{360}\else\def\CF@cyclearc@endangle{#2}\fi + \expandafter\def\expandafter\CF@cyclearc@directtikz\expandafter{\CF@sanitize@lastitem#3,\@empty\@nil}% +} + +\CF@def\CF@grab@submol#1{% + \begingroup + \catcode`(\@ne\catcode`)\tw@ + \expandafter\expandafter\expandafter + \endgroup + \expandafter\CF@grab@submol@i\scantokens{\relax#1}% le \relax sert \`a meubler pour ne pas que l'argument d\'elimit\'e n'enl\`eve les accolades +} + +\CF@def\CF@grab@submol@i#1\@nil{% + \expandafter\assign@tonil\expandafter\CF@remain@molecule\scantokens\expandafter\expandafter\expandafter{\expandafter\@gobble\@gobble#1}% + \expandafter\assign@tonil\expandafter\CF@sub@mol\scantokens\expandafter\expandafter\expandafter{\expandafter\@car\@gobble#1\@nil}% +} + +\CF@def\assign@tonil#1#2\@nil{\def#1{#2}} + +\CF@def\CF@ifcar@isupperletter#1{% + \ifcat\relax\noexpand#1% + \let\CF@next\@secondoftwo% faux si c'est une sc + \else + \ifnum`#1<`A + \let\CF@next\@secondoftwo + \else + \ifnum`#1>`Z + \let\CF@next\@secondoftwo + \else + \let\CF@next\@firstoftwo + \fi + \fi + \fi + \CF@next +} + +% Cr\'e\'e 4 noeuds au dessus et au dessous des noeuds #1 et #2 +% \`a une distance de #3 du noeud #1 et #4 du noeud #2 +\CF@def\CF@create@normnodes#1#2#3#4{% + \ifx\@empty#3\@empty\else + \node[at=(#1),xshift=#3*\CF@norm@x,yshift=#3*\CF@norm@y](#11){}; + \node[at=(#1),xshift=-#3*\CF@norm@x,yshift=-#3*\CF@norm@y](#12){}; + \fi + \ifx\@empty#4\@empty\else + \node[at=(#2),xshift=#4*\CF@norm@x,yshift=#4*\CF@norm@y](#21){}; + \node[at=(#2),xshift=-#4*\CF@norm@x,yshift=-#4*\CF@norm@y](#22){}; + \fi +} + +\CF@def\CF@compute@nodevect#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}% + \pgfmathparse{veclen(\CF@dimbx-\CF@dimax,\CF@dimby-\CF@dimay)}\let\CF@len@vector\pgfmathresult + \pgfmathparse{(\CF@dimay-\CF@dimby)/\CF@len@vector}\let\CF@norm@x\pgfmathresult + \pgfmathparse{(\CF@dimbx-\CF@dimax)/\CF@len@vector}\let\CF@norm@y\pgfmathresult +} + +\CF@def\CF@draw@bond#1#2#3#4#5{% #1=type de liaison #2 et #3:nom de noeuds de d\'ebut et fin #4 et #5: contenu des atomes de d\'ebut et fin + \edef\CF@start@offset{% + \ifx\CF@start@offset\@empty + \ifx#4\CF@empty@node0pt\else\ifx#4\@empty0pt\else\CF@bond@offset\fi\fi + \else + \CF@start@offset + \fi + }% + \edef\CF@end@offset{% + \ifx\CF@end@offset\@empty + \ifx#5\CF@empty@node0pt\else\ifx#5\@empty0pt\else\CF@bond@offset\fi\fi + \else + \CF@end@offset + \fi + }% + \path(#2)--(#3)coordinate[pos=0](#2@)coordinate[pos=1](#3@);% + \CF@compute@nodevect{#2@}{#3@}% + \pgfmathparse{\CF@start@offset/\CF@len@vector}\let\CF@start@coeff\pgfmathresult + \pgfmathparse{1-\CF@end@offset/\CF@len@vector}\let\CF@end@coeff\pgfmathresult + \path(#2@)--(#3@)coordinate[pos=\CF@start@coeff](#2@@)coordinate[pos=\CF@end@coeff](#3@@);% + \unless\ifx\CF@movebond@name\@empty% on doit poser un nœud sur la liaison + \path(#2@@)--(#3@@)coordinate[overlay,pos=\CF@movebond@coeff](\CF@movebond@name); + \let\CF@movebond@name\@empty + \fi + \ifcase#1\relax + \errmessage{Package \CF@package@name\space 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@draw@bond@i(#2@@)--(#3@@); + \or% 2 = liaison double + \ifCF@incycle + \ifnum\CF@doublebond@type=\z@ + \let\CF@doublebond@type\@ne + \fi + \pgfmathparse{\CF@double@sep*tan(180/\CF@cycle@num)}% + \let\CF@doublebond@lengthcorrection\pgfmathresult + \fi + \ifcase\CF@doublebond@type + \CF@create@normnodes{#2@@}{#3@@}{\CF@double@sep/2}{\CF@double@sep/2}% + \CF@draw@bond@i(#2@@1)--(#3@@1); + \CF@draw@bond@i(#2@@2)--(#3@@2); + \or + \CF@create@normnodes{#2@@}{#3@@}\CF@double@sep\CF@double@sep + \CF@draw@bond@i(#2@@)--(#3@@); + \begingroup% ajuste \'eventuellement les longueurs des liaisons doubles + \ifCF@incycle + \ifdim\CF@start@offset=\z@ + \CF@add@tocs\CF@current@tikz{,shorten <=\CF@doublebond@lengthcorrection pt}% + \fi + \ifdim\CF@end@offset=\z@ + \CF@add@tocs\CF@current@tikz{,shorten >=\CF@doublebond@lengthcorrection pt}% + \fi + \fi + \CF@draw@bond@i(#2@@1)--(#3@@1); + \endgroup + \or + \CF@create@normnodes{#2@@}{#3@@}\CF@double@sep\CF@double@sep + \CF@draw@bond@i(#2@@)--(#3@@); + \begingroup% ajuste \'eventuellement les longueurs des liaisons doubles + \ifCF@incycle + \ifdim\CF@start@offset=\z@ + \CF@add@tocs\CF@current@tikz{,shorten <=-\CF@doublebond@lengthcorrection pt}% + \fi + \ifdim\CF@end@offset=\z@ + \CF@add@tocs\CF@current@tikz{,shorten >=-\CF@doublebond@lengthcorrection pt}% + \fi + \fi + \CF@draw@bond@i(#2@@2)--(#3@@2); + \endgroup + \fi + \or% 3 = liaison triple + \CF@create@normnodes{#2@@}{#3@@}\CF@double@sep\CF@double@sep + \CF@draw@bond@i(#2@@)--(#3@@); + \CF@draw@bond@i(#2@@1)--(#3@@1); + \CF@draw@bond@i(#2@@2)--(#3@@2); + \or% 4 = liaison Cram pleine de #2 vers #3 + \CF@create@normnodes{#2@@}{#3@@}{\CF@cram@basewidth/2}{}% + \expandafter\filldraw\expandafter[\CF@current@tikz,line join=bevel](#2@@1)--(#2@@2)--(#3@@)--(#2@@1); + \or% 5 = liaison Cram pleine de #3 vers #2 + \CF@create@normnodes{#3@@}{#2@@}{\CF@cram@basewidth/2}{}% + \expandafter\filldraw\expandafter[\CF@current@tikz,line join=bevel](#3@@1)--(#3@@2)--(#2@@)--(#3@@1); + \or% 6 = liaison Cram pointill\'ee de #2 vers #3 + \scope + \CF@create@normnodes{#2@@}{#3@@}{\CF@cram@basewidth/2}{}% + \clip(#2@@1)--(#2@@2)--(#3@@)--(#2@@1); + \expandafter\draw\expandafter[\CF@current@tikz,dash pattern=on \CF@cram@dashlength off \CF@cram@dashsep,line width=\CF@cram@basewidth](#2@@)--(#3@@); + \endscope + \or% 7 = liaison Cram pointill\'ee de #3 vers #2 + \scope + \CF@create@normnodes{#3@@}{#2@@}{\CF@cram@basewidth/2}{}% + \clip(#3@@1)--(#3@@2)--(#2@@)--(#3@@1); + \expandafter\draw\expandafter[\CF@current@tikz,dash pattern=on \CF@cram@dashlength off \CF@cram@dashsep,line width=\CF@cram@basewidth](#3@@)--(#2@@); + \endscope + \or% 8 = liaison Cram triangle \'evid\'e de #2 vers #3 + \CF@create@normnodes{#2@@}{#3@@}{\CF@cram@basewidth/2}{}% + \expandafter\draw\expandafter[\CF@current@tikz,line join=bevel](#2@@1)--(#2@@2)--(#3@@)--(#2@@1); + \or% 9 = liaison Cram triangle \'evid\'e de #3 vers #1 + \CF@create@normnodes{#3@@}{#2@@}{\CF@cram@basewidth/2}{}% + \expandafter\draw\expandafter[\CF@current@tikz,line join=bevel](#3@@1)--(#3@@2)--(#2@@)--(#3@@1); + \else + \errmessage{Package \CF@package@name\space 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@start@offset\@empty + \let\CF@end@offset\@empty +} + +\CF@def\CF@draw@bond@i{\expandafter\draw\expandafter[\CF@current@tikz]} + +\CF@def\CF@hook@drawall{% dessine tous les crochets contenus dansla sc \CF@hook@draw + \unless\ifx\CF@hook@drawlist\@empty + \expandafter\CF@hook@drawfirst\CF@hook@drawlist\@nil% trace un lien de crochet \`a crochet + \expandafter\CF@hook@drawall + \fi +} + +\CF@def\CF@hook@drawfirst[#1,#2,#3]#4#5#6#7#8\@nil{% + \def\CF@hook@drawlist{#8}% + \begingroup + \def\CF@current@tikz{#3}% + \def\CF@hook@startcontent{#6}\def\CF@hook@endcontent{#7}% + \CF@if@integer{#2}% + {\CF@draw@bond{#2}{#4}{#5}\CF@hook@startcontent\CF@hook@endcontent}% + {\CF@bond@findnum{#2}\CF@bond@currentnum + \CF@draw@bond\CF@bond@currentnum{#4}{#5}\CF@hook@startcontent\CF@hook@endcontent + }% + \endgroup +} + +\CF@def\CF@extract@atom#1-#2\@nil{#2}% transforme le bound@outnode en n° de l'atome + +\CF@def\setnodestyle{\def\CF@node@style} +\setnodestyle{} + +\expandafter\CF@def\expandafter\CF@gobble@movearg\string @#1#2\@nil#3% +{% + \expandafter\def\csname atom@\number\CF@cnt@atomnumber\endcsname{#2}% + \CF@if@instr{#1},% + {\CF@analyse@movearg#1\@nil#3\let\CF@movebond@coeff\@empty}% + {\def#3{#1}}% + \ifx\@empty#2\@empty\let\CF@node@strut\@empty\fi +}% + +\CF@def\hflipnext{\let\CF@split@state\@ne} + +\CF@def\vflipnext{\let\CF@split@state\tw@} +\let\CF@split@state\z@ + +\CF@def\CF@draw@atomgroup#1#2#3{% #1=angle d'arriv\'ee de la liaison #2=numero atome sur lequel arrive la liaison #3=groupe d'atomes + \expandafter\let\expandafter\CF@bond@outcontent% assigne le contenu de l'atome d'o\`u part la liaison + \csname + \ifdefined\CF@bond@outnode + atom@\expandafter\CF@extract@atom\CF@bond@outnode\@nil + \else + @empty% + \fi + \endcsname + \global\advance\CF@cnt@groupnumber\@ne + \let\CF@current@atom\@empty + \global\let\CF@hook@drawlist\@empty + \CF@cnt@atomingroup\z@ + \CF@if@firsttokmatch{#3}?{\CF@draw@atomgroup@i{{}#3}}{\CF@draw@atomgroup@i{#3}}% + \def\CF@current@atomgroup{#3}% + \CF@remove@movearg\CF@current@atomgroup% enl\`eve les "@{<nom>}" + \CF@if@instr{#3}?% + {\CF@remove@hook\CF@current@atomgroup + \ifx\@empty\CF@current@atomgroup\let\CF@current@atomgroup\CF@empty@node\fi}% + \relax + \ifx\@empty#2\@empty% + \else + \ifnum#2<\@ne + \immediate\write\CF@unused{Package \CF@package@name\space Warning: no atom found at position #2.^^JPershaps you mispelled the optional argument of the bond on input line \the\inputlineno.}% + \else + \ifnum#2>\CF@cnt@atomingroup + \errmessage{Package \CF@package@name\space Error: no atom found at position #2, pershaps you mispelled the optional argument of the bond.}% + \fi + \fi + \fi + \edef\CF@hook@atomnumber{% + \ifx\@empty#2\@empty%\relax + \ifdim#1pt>90pt + \ifdim#1pt<270pt \number\CF@cnt@atomingroup\else1\fi + \else1% + \fi + \else#2% + \fi}% + \CF@cnt@atomnumber\CF@hook@atomnumber + \ifx\CF@current@atomgroup\CF@empty@node + \let\CF@node@strut\@empty + \else + \ifx\@empty\CF@bond@outcontentsaved + \def\CF@node@strut{\vphantom\CF@bond@outcontent}% + \else + \def\CF@node@strut{\vphantom\CF@bond@outcontentsaved}% + \fi + \fi + \edef\CF@opt@string{anchor=\ifnum\CF@last@action=\z@ base\else center\fi,at=(CF@node),\CF@node@style}% premier atome de la mol\'ecule affich\'e + \loop + \unless\ifnum\CF@cnt@atomnumber>\CF@cnt@atomingroup + \expandafter\expandafter\expandafter\futurelet\expandafter\expandafter\expandafter\CF@toks@a\expandafter\expandafter\expandafter + \CF@gobble@tonil\csname atom@\number\CF@cnt@atomnumber\endcsname\@nil + \expandafter\ifx\string @\CF@toks@a% l'atome courant commence par un "@" + \expandafter\expandafter\expandafter\CF@gobble@movearg\csname atom@\number\CF@cnt@atomnumber\endcsname\@nil\CF@moveatom@name + \expandafter\node\expandafter[\CF@opt@string,overlay](\CF@moveatom@name){\phantom{\CF@node@content}};% + \let\CF@moveatom@name\@empty + \fi + \expandafter\node\expandafter[\CF@opt@string](n\number\CF@cnt@groupnumber-\number\CF@cnt@atomnumber){\CF@node@content};% + \let\CF@node@strut\@empty + \advance\CF@cnt@atomnumber\@ne + \edef\CF@opt@string{anchor=base \ifnum\CF@split@state=\@ne east\else west\fi,at=(n\number\CF@cnt@groupnumber-\number\numexpr\CF@cnt@atomnumber-1.base \ifnum\CF@split@state=\@ne west\else east\fi),\CF@node@style}% + \repeat + \CF@cnt@atomnumber\CF@hook@atomnumber + \ifnum\CF@last@action=\tw@% s'il faut tracer une liaison + \gdef\CF@cycle@anglecorrection{0}% alors c'est qu'un cycle ne peut pas commencer la mol\'ecule : annulation de la correction d'angle + \CF@draw@bond\CF@bond@type{\CF@bond@outnode}{n\number\CF@cnt@groupnumber-\number\CF@cnt@atomnumber}\CF@previous@atomgroup\CF@current@atomgroup + \fi + \let\CF@last@action\@ne% met la derni\`ere action \`a 1 : affichage d'un noeud + \loop + \ifnum\CF@cnt@atomnumber>\@ne + \advance\CF@cnt@atomnumber\m@ne + \edef\CF@opt@string{anchor=base \ifnum\CF@split@state=\@ne west\else east\fi,at=(n\number\CF@cnt@groupnumber-\number\numexpr\CF@cnt@atomnumber+1.base \ifnum\CF@split@state=\@ne east\else west\fi),\CF@node@style}% + \expandafter\expandafter\expandafter\futurelet\expandafter\expandafter\expandafter\CF@toks@a\expandafter\expandafter\expandafter + \CF@gobble@tonil\csname atom@\number\CF@cnt@atomnumber\endcsname\@nil + \expandafter\ifx\string @\CF@toks@a% l'atome courant commence par un "@" + \expandafter\expandafter\expandafter\CF@gobble@movearg\csname atom@\number\CF@cnt@atomnumber\endcsname\@nil\CF@moveatom@name + \expandafter\node\expandafter[\CF@opt@string,overlay](\CF@moveatom@name){\phantom{\CF@node@content}};% + \let\CF@moveatom@name\@empty + \fi + \expandafter\node\expandafter[\CF@opt@string](n\number\CF@cnt@groupnumber-\number\CF@cnt@atomnumber){\CF@node@content};% + \repeat + \CF@hook@drawall + \edef\CF@last@groupnumber{\number\CF@cnt@groupnumber}% + \let\CF@previous@atomgroup\CF@current@atomgroup +} + +\expandafter\CF@def\expandafter\CF@keep@movearg\string @#1#2\@nil{\expandafter\def\expandafter\CF@current@atom\expandafter{\string @{#1}}} + +\CF@def\CF@draw@atomgroup@i#1{% transforme #1 en un groupe d'atomes + \ifx\@empty#1\@empty + \expandafter\let\csname atom@\number\CF@cnt@atomingroup\endcsname\CF@current@atom + \else + \advance\CF@cnt@atomingroup\@ne + \futurelet\CF@toks@a\CF@gobble@tonil#1\@nil + \expandafter\ifx\string @\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\CF@keep@movearg#1\@nil + \CF@swap@fi + \CF@remove@movearg@i#1\@nil\CF@after@movearg + \expandafter\CF@draw@atomgroup@ii\expandafter{\CF@after@movearg}% + }% + {\CF@swap@fi + \let\CF@current@atom\@empty + \CF@draw@atomgroup@ii{#1}% + }% + \fi +} + +\CF@def\CF@draw@atomgroup@ii#1{% + \ifx\@empty#1\@empty + \expandafter\let\csname atom@\number\CF@cnt@atomingroup\endcsname\CF@current@atom + \else + \futurelet\CF@toks@a\CF@gobble@tonil#1\@nil + \ifx\bgroup\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\CF@expadd@tocs\CF@current@atom{\expandafter{\@car#1\@nil}}% + \expandafter\CF@draw@atomgroup@iii\expandafter{\@gobble#1}% + }% + {\ifx\@sptoken\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\CF@add@tocs\CF@current@atom{ }% + \expandafter\CF@draw@atomgroup@iii\expandafter{\CF@after@space#1\@nil}% + }% + {\CF@expadd@tocs\CF@current@atom{\@car#1\@nil}% + \expandafter\CF@draw@atomgroup@iii\expandafter{\@gobble#1}% + }% + }% + \fi +} + +% enl\`eve tous les "@{nom}" de la sc #1 +\CF@def\CF@remove@movearg#1{% + \CF@expand@afterfirst{\expandafter\CF@if@instr\expandafter{#1}}{\string @}% + {\expandafter\CF@remove@movearg@i#1\@nil#1% + \CF@remove@movearg#1}% + \relax +} + +% enl\`eve le premier "@{<nom>}" de l'argument et l'assigne \`a #2 +\CF@def\CF@remove@movearg@i#1\@nil#2{% + \expandafter\def\expandafter\CF@remove@movearg@ii\expandafter##\expandafter1\string @{% + \expandafter\def\expandafter#2\expandafter{\@gobble##1}% mange le \relax + \CF@remove@movearg@iii\relax + }% + \def\CF@remove@movearg@iii##1\@nil{\CF@expadd@tocs#2{\@gobbletwo##1}}% mange le \relax et le <nom> + \CF@remove@movearg@ii\relax#1\@nil +} + +\CF@def\CF@draw@atomgroup@iii#1{% transforme #1 en un groupe d'atomes + \ifx\@empty#1\@empty% + \expandafter\let\csname atom@\number\CF@cnt@atomingroup\endcsname\CF@current@atom + \let\CF@current@atom\@empty + \else + \futurelet\CF@toks@a\CF@gobble@tonil#1\@nil + \expandafter\ifx\string @\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\expandafter\let\csname atom@\number\CF@cnt@atomingroup\endcsname\CF@current@atom + \let\CF@current@atom\@empty + \CF@swap@fi\CF@draw@atomgroup@i{#1}% + }% + {\ifx|\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\expandafter\let\csname atom@\number\CF@cnt@atomingroup\endcsname\CF@current@atom + \let\CF@current@atom\@empty + \CF@swap@fi\expandafter\CF@draw@atomgroup@i\expandafter{\@gobble#1}% + }% + {\ifx\@sptoken\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\CF@add@tocs\CF@current@atom{ }% + \CF@swap@fi\expandafter\CF@draw@atomgroup@iii\expandafter{\CF@after@space#1\@nil}% + }% + {\ifx\bgroup\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\CF@expadd@tocs\CF@current@atom{\expandafter{\@car#1\@nil}}% + \CF@swap@fi\expandafter\CF@draw@atomgroup@iii\expandafter{\@gobble#1}% + }% + {\expandafter\CF@ifcar@isupperletter\expandafter{\@car#1\@nil}% + {\expandafter\let\csname atom@\number\CF@cnt@atomingroup\endcsname\CF@current@atom + \let\CF@current@atom\@empty + \CF@swap@fi\CF@draw@atomgroup@i{#1}% + }% + {\ifx?\CF@toks@a\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\expandafter\CF@if@firsttokmatch\expandafter{\@gobble#1}[% un crochet apr\`es le "?" + {\expandafter\CF@grab@optarg\@gobble#1\@nil\CF@after@hook}% + {\expandafter\CF@grab@optarg\expandafter[\expandafter]\@gobble#1\@nil\CF@after@hook}% + \CF@expand@second{\CF@expand@second\CF@if@instr\CF@hook@list}{\expandafter(\CF@hook@currentname)}% crochet d\'ej\`a d\'efini ? + {\expandafter\CF@hook@parselist\expandafter{\CF@hook@currentname}% va chercher les caract\'eristiques du crochet sauvegard\'e + \CF@edefadd@tocs\CF@hook@drawlist{% + [\CF@hook@currentname,\CF@hook@currentlink,\CF@hook@currenttikz]{\CF@hook@savedcoord}{n\number\CF@cnt@groupnumber-\number\CF@cnt@atomingroup}}% + \CF@expadd@tocs\CF@hook@drawlist{\expandafter{\CF@hook@savedcontent}}% + \CF@expadd@tocs\CF@hook@drawlist{\expandafter{\CF@current@atom}}% ajoute les 4 arguments \`a la liste des crochets \`a tracer + \global\let\CF@hook@drawlist\CF@hook@drawlist + }% + {\CF@edefadd@tocs\CF@hook@list{(\CF@hook@currentname)|n\number\CF@cnt@groupnumber-\number\CF@cnt@atomingroup|}% + \CF@expadd@tocs\CF@hook@list{\CF@current@atom|}% + \global\let\CF@hook@list\CF@hook@list + }% + \CF@swap@fi\expandafter\CF@draw@atomgroup@iii\expandafter{\CF@after@hook}% + }% + {\CF@expadd@tocs\CF@current@atom{\@car#1\@nil}% + \CF@swap@fi\expandafter\CF@draw@atomgroup@iii\expandafter{\@gobble#1}% + }% + }% + }% + }% + }% + }% + \fi +} + +\CF@def\CF@kook@defaultname{a} +\CF@def\CF@hook@defaultlink{-} +\CF@def\CF@hook@defaulttikz{} + +\CF@def\CF@hook@parseoptarg#1,#2,#3\@nil{% + \CF@testempty@andassign\CF@hook@currentname{#1}\CF@kook@defaultname + \CF@testempty@andassign\CF@hook@currentlink{#2}\CF@hook@defaultlink + \CF@testempty@andassign\CF@hook@currenttikz{#3}\CF@hook@defaulttikz +} + +\CF@def\CF@grab@optarg[#1]#2\@nil#3{% + \CF@hook@parseoptarg#1,,\@nil + \def#3{#2}% +} + +\CF@def\CF@hook@parselist#1{% #1 est le nom du noeud \`a retrouver + \def\CF@hook@parselist@i##1(#1)|##2|##3|##4\@nil{% + \def\CF@hook@savedcoord{##2}\def\CF@hook@savedcontent{##3}% + }% + \expandafter\CF@hook@parselist@i\CF@hook@list\@nil +} + +\CF@def\CF@remove@hook#1{% enl\`eve tous les crochets (et leurs arguments optionnels) de la sc #1 + \expandafter\CF@if@instr\expandafter{#1}{?[}% + {\expandafter\expandafter\expandafter\def\expandafter\expandafter\expandafter#1% + \expandafter\expandafter\expandafter{\expandafter\CF@remove@opthook#1\@nil}% + \CF@remove@hook#1% + }% + {\CF@remove@hook@i#1}% +} + +\CF@def\CF@remove@hook@i#1{% + \expandafter\CF@if@instr\expandafter{#1}?% + {\expandafter\expandafter\expandafter\def\expandafter\expandafter\expandafter#1% + \expandafter\expandafter\expandafter{\expandafter\CF@remove@singlehook#1\@nil}% + \CF@remove@hook@i#1% + }% + \relax +} + +\CF@def\CF@remove@opthook#1?[#2]#3\@nil{#1#3} + +\CF@def\CF@remove@singlehook#1?#2\@nil{#1#2} + +\CF@def\setlewis{\@testopt\CF@setlewis{0.3ex}} + +\CF@def\CF@setlewis[#1]#2#3#4{% + \def\CF@lewis@widthdouble{#1}% + \ifx\@empty#2\@empty\def\CF@lewis@offset{0.4ex}\else\def\CF@lewis@offset{#2}\fi + \ifx\@empty#3\@empty\def\CF@lewis@length{1.5ex}\else\def\CF@lewis@length{#3}\fi + \ifx\@empty#4\@empty\def\CF@lewis@style{}\else\def\CF@lewis@style{#4}\fi +} + +\setlewis{}{}{} + +\CF@def\lewis{\begingroup\@makeother;\@makeother:\CF@lewis@i} + +\CF@def\CF@lewis@i#1{\CF@lewis@ii#1\@nil} + +\CF@def\CF@lewis@ii#1,#2\@nil{% + \setbox\CF@lewis@box\hbox{\printatom{#2}}% + \def\CF@lewis@remainpos{#1}% + \let\CF@lewis@previouspos\@empty + \loop + \unless\ifx\CF@lewis@remainpos\@empty + \edef\CF@lewis@currentpos{\expandafter\@car\CF@lewis@remainpos\@nil}% + \edef\CF@lewis@remainpos{\expandafter\@gobble\CF@lewis@remainpos}% + \pgfmathparse{\wd\CF@lewis@box/2+\ifcase\CF@lewis@currentpos\space1\or1\or0\or-1\or-1\or-1\or0\or1\fi*(\wd\CF@lewis@box/2+\CF@lewis@offset)}% + \let\CF@lewis@x\pgfmathresult + \pgfmathparse{\ht\CF@lewis@box/2+\ifcase\CF@lewis@currentpos\space0\or1\or1\or1\or0\or-1\or-1\or-1\fi*(\ht\CF@lewis@box/2\ifnum\CF@lewis@currentpos>4 +\dp\CF@lewis@box\fi+\CF@lewis@offset)}% + \let\CF@lewis@y\pgfmathresult + \edef\CF@lewis@xoffset{\ifcase\CF@lewis@currentpos\space + 0\or0.70711\or1\or0.70711\or0\or-0.70711\or-1\or-0.70711\fi}% + \edef\CF@lewis@yoffset{\ifcase\CF@lewis@currentpos\space + -1\or-0.70711\or0\or0.70711\or1\or0.70711\or0\or-0.70711\fi}% + \pgfmathparse{veclen(\CF@lewis@xoffset,\CF@lewis@yoffset)}\let\CF@len@normvec\pgfmathresult + \edef\CF@lewis@diagmul{\ifcase\CF@lewis@currentpos\space1\or0\or1\or0\or1\or0\or1\or0\fi}% annule l'offset pour les diagonales + \if.\expandafter\@car\CF@lewis@remainpos\relax\@nil + \edef\CF@lewis@remainpos{\expandafter\@gobble\CF@lewis@remainpos}% + \tikz \draw[overlay,fill,black] + (\CF@lewis@x pt-\CF@lewis@yoffset*\CF@lewis@diagmul*0.1ex, + \CF@lewis@y pt+\CF@lewis@xoffset*\CF@lewis@diagmul*0.1ex)circle(0.15ex);% + \else + \if|\expandafter\@car\CF@lewis@remainpos\relax\@nil + \edef\CF@lewis@remainpos{\expandafter\@gobble\CF@lewis@remainpos}% + \expandafter\tikz\expandafter\draw\expandafter[\CF@lewis@style,overlay]% + (\CF@lewis@x-\CF@lewis@length*\CF@lewis@xoffset/2 pt,\CF@lewis@y-\CF@lewis@length*\CF@lewis@yoffset/2 pt)-- + ([xshift=-\CF@lewis@yoffset*\CF@lewis@widthdouble,yshift=\CF@lewis@xoffset*\CF@lewis@widthdouble]\CF@lewis@x-\CF@lewis@xoffset*\CF@lewis@length/2 pt,\CF@lewis@y-\CF@lewis@yoffset*\CF@lewis@length/2 pt)-- + ([xshift=-\CF@lewis@yoffset*\CF@lewis@widthdouble,yshift=\CF@lewis@xoffset*\CF@lewis@widthdouble]\CF@lewis@x+\CF@lewis@length*\CF@lewis@xoffset/2 pt,\CF@lewis@y+\CF@lewis@length*\CF@lewis@yoffset/2 pt)-- + (\CF@lewis@x+\CF@lewis@length*\CF@lewis@xoffset/2 pt,\CF@lewis@y+\CF@lewis@length*\CF@lewis@yoffset/2 pt)--cycle;% + \else + \if:\expandafter\@car\CF@lewis@remainpos\relax\@nil + \edef\CF@lewis@remainpos{\expandafter\@gobble\CF@lewis@remainpos}% + \tikz \draw[overlay,fill,black] + (\CF@lewis@x pt-\CF@lewis@yoffset*\CF@lewis@diagmul*0.2ex-.2em*\CF@lewis@xoffset/\CF@len@normvec,\CF@lewis@y pt+\CF@lewis@xoffset*\CF@lewis@diagmul*0.2ex-.2em*\CF@lewis@yoffset/\CF@len@normvec)circle(0.15ex)% + (\CF@lewis@x pt-\CF@lewis@yoffset*\CF@lewis@diagmul*0.2ex+.2em*\CF@lewis@xoffset/\CF@len@normvec,\CF@lewis@y pt+\CF@lewis@xoffset*\CF@lewis@diagmul*0.2ex+.2em*\CF@lewis@yoffset/\CF@len@normvec)circle(0.15ex);% + \else + \expandafter\tikz\expandafter\draw\expandafter[\CF@lewis@style,overlay]% + (\CF@lewis@x-\CF@lewis@length*\CF@lewis@xoffset/2 pt,\CF@lewis@y-\CF@lewis@length*\CF@lewis@yoffset/2 pt)--% + (\CF@lewis@x+\CF@lewis@length*\CF@lewis@xoffset/2 pt,\CF@lewis@y+\CF@lewis@length*\CF@lewis@yoffset/2 pt);% + \fi + \fi + \fi + \repeat + \box\CF@lewis@box + \endgroup +} + +\CF@def\chembelow{\CF@save@catcode\CF@sanitize@catcode\@testopt\CF@chembelow{1.5pt}} + +\CF@def\CF@chembelow[#1]#2#3{% + \setbox\CF@box@boxa\hbox{\printatom{#2}}\setbox\CF@box@boxb\hbox{\printatom{#3}}% + \vtop{% + \hbox{\printatom{#2}}% + \hrule width0pt depth0pt height#1\relax + \hbox{% + \hskip\dimexpr(\wd\CF@box@boxa-\wd\CF@box@boxb)/\tw@ + \printatom{#3}% + \hskip\dimexpr(\wd\CF@box@boxa-\wd\CF@box@boxb)/\tw@ + }% + \vskip-\dimexpr\ht\CF@box@boxb+\dp\CF@box@boxb+#1\relax + }% + \CF@restore@catcode +} + +\CF@def\chemabove{\CF@save@catcode\CF@sanitize@catcode\@testopt\CF@chemabove{1.5pt}} + +\CF@def\CF@chemabove[#1]#2#3{% + \setbox\CF@box@boxa\hbox{\printatom{#2}}\setbox\CF@box@boxb\hbox{\printatom{#3}}% + \vtop{% + \hbox{\printatom{#2}}% + \hrule width0pt depth0pt height-\dimexpr#1+\ht\CF@box@boxa+\ht\CF@box@boxb+\dp\CF@box@boxb\relax + \hbox{% + \hskip\dimexpr(\wd\CF@box@boxa-\wd\CF@box@boxb)/\tw@ + \printatom{#3}% + \hskip\dimexpr(\wd\CF@box@boxa-\wd\CF@box@boxb)/\tw@ + }% + }% + \CF@restore@catcode +} + +%%%%%% les signes et les fl\`eches +\CF@def\chemsign{\@testopt\CF@chemsign{0.5em}} + +\CF@def\CF@chemsign[#1]#2{\hbox{\kern#1\relax#2\kern#1}} + +\CF@def\setchemrel#1#2#3{% + \ifx\@empty#1\@empty\def\CF@chemrel@vsep{2pt}\else\def\CF@chemrel@vsep{#1}\fi + \ifx\@empty#2\@empty\def\CF@chemrel@hsep{0.7em}\else\def\CF@chemrel@hsep{#2}\fi + \ifx\@empty#3\@empty\def\CF@chemrel@length{4em}\else\def\CF@chemrel@length{#3}\fi +} + +\setchemrel{}{}{} + +\CF@def\chemrel{\CF@save@catcode\CF@sanitize@catcode\@testopt\CF@chemchemrel@i{}} + +\CF@def\CF@chemchemrel@i[#1]{\@testopt{\CF@chemchemrel@ii[#1]}{}} + +\CF@def\CF@chemchemrel@ii[#1][#2]#3{% + \def\CF@chemrel@stuff + {\leavevmode\kern\CF@chemrel@hsep + \tikzpicture[every node/.style={anchor=base,inner sep=0pt,outer sep=0pt,minimum size=0pt},baseline]% + \CF@if@instr{#3}{<>}% + {\node[yshift=-1pt] at(0,0)(chemrel@start){\vphantom I};\node[yshift=-1pt] at(\CF@chemrel@length,0)(chemrel@end){\vphantom I};% + \expandafter\draw\expandafter[\CF@remove@equichars#3,\@nil-](chemrel@end)--(chemrel@start);\fill (chemrel@start)--++(4pt,-1.75pt)--+(-1.5pt,1.75pt)--cycle;% + \node[yshift=1pt] at(0,0)(chemrel@start){\vphantom I};\node[yshift=1pt] at(\CF@chemrel@length,0)(chemrel@end){\vphantom I};% + \expandafter\draw\expandafter[\CF@remove@equichars#3,\@nil-](chemrel@start)--(chemrel@end);\fill(chemrel@end)--++(-4pt,1.75pt)--+(1.5pt,-1.75pt)--cycle; + }% + {\node at(0,0)(chemrel@start){\vphantom I};\node at(\CF@chemrel@length,0)(chemrel@end){\vphantom I};% + \draw[#3](chemrel@start)--(chemrel@end);% + }% + \endtikzpicture + \kern\CF@chemrel@hsep + }% + \ifx\@empty#1\@empty + \ifx\@empty#2\@empty\CF@chemrel@stuff + \else\chembelow[\CF@chemrel@vsep]\CF@chemrel@stuff{\hbox{#2}}% + \fi + \else + \ifx\@empty#2\@empty\chemabove[\CF@chemrel@vsep]\CF@chemrel@stuff{\hbox{#1}}% + \else\chemabove[\CF@chemrel@vsep]{\chembelow[\CF@chemrel@vsep]\CF@chemrel@stuff{\hbox{#2}}}{\hbox{#1}}% + \fi + \fi + \CF@restore@catcode +} + +\CF@def\CF@remove@equichars#1<>#2\@nil{#1#2} + +\CF@def\chemmove{\CF@save@catcode\CF@sanitize@catcode\@testopt\CF@chemmove{}} + +\CF@def\CF@chemmove[#1]#2{% + \ifx\@empty#2\@empty + \expandafter\@gobble + \else + \expandafter\@firstofone + \fi + {\expandafter\tikzpicture\romannumeral\ifx\@empty#1\@empty\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi + {\z@[remember picture,overlay]}{\z@[remember picture,overlay,#1]}#2 + \endtikzpicture + }% + \CF@restore@catcode +} + +\CF@def\chemnameinit#1{% + \CF@save@catcode\CF@sanitize@catcode + \setbox\CF@stuff@box\hbox{#1}% + \edef\CF@dp@max{\the\dp\CF@stuff@box}% + \CF@restore@catcode +} +\chemnameinit{} + +\CF@def\CF@parse@molname#1\\#2\@nil{% + \hbox to\CF@wd@stuffbox{\hss#1\hss}% + \ifx\@empty#2\@empty + \else + \CF@swap@fi + \CF@parse@molname#2\@nil + \fi +} + +\CF@def\chemname{\CF@save@catcode\CF@sanitize@catcode\@testopt\CF@chemname{1.5ex}} + +\CF@def\CF@chemname[#1]#2#3{% + \setbox\CF@stuff@box\hbox{#2}% + \edef\CF@wd@stuffbox{\the\wd\CF@stuff@box}\edef\CF@dp@stuffbox{\the\dp\CF@stuff@box}% + \leavevmode + \ifdim\CF@dp@max<\CF@dp@stuffbox\let\CF@dp@max\CF@dp@stuffbox\fi + \vtop{% + \box\CF@stuff@box + \nointerlineskip + \kern\dimexpr#1+\CF@dp@max-\CF@dp@stuffbox\relax + \CF@parse@molname#3\\\@nil + }% + \CF@restore@catcode +} + +\CF@savedcatcode + +\endinput + +###################################################################### +# Historique # +###################################################################### + +v0.1 2010/06/23 + - Premi\`ere version publique sur le CTAN +---------------------------------------------------------------------- +v0.2 2010/08/31 + - Ajout de la documentation en anglais. + - Correction de bugs. + - \printatom est d\'esormais une macro publique. + - Les espaces sont permis dans les mol\'ecules. Ils seront + ignor\'es par d\'efaut puisque les atomes sont compos\'es en + mode math par \printatom + - Une paire de Lewis peut être repr\'esent\'ee ":". + - Dans les cycles, une correction de la longueur du trait + d\'eport\'e des liaisons doubles est fait de telle sorte que si + l'on \'ecrit \chemfig{*5(=====)}, on obtient deux polygones + r\'eguliers concentriques. + - La s\'equence de contr\^ole \setnodestyle permet de sp\'ecifier + le style des nœuds dessin\'es par tikz. +---------------------------------------------------------------------- +v0.3 2010/11/21 + - Am\'elioration de \definesubmol qui accepte les s\'equences de + contr\^ole. On peut aussi choisir un alias dont la substitution + est diff\'erente selon l'orientation de la liaison qui lui + arrive dessus. + - Le caract\`ere "|" force la fin d'un atome. Si on \'ecrit + "D|ef" alors, chemfig verra deux atomes "D" et "ef". + - Le caract\`ere "#" est reconnu lorsqu'il suit un caract\`ere de + liaison. Il doit être suivi d'un argument entre parenth\`eses + qui contient l'offset de d\'ebut et de fin qui s'appliqueront + \`a cette liaison. + - La macro \chemfig admet un argument optionnel qui sera pass\'e + \`a l'environnement tikzpicture dans lequel elle est dessin\'ee + - Mise en place de la repr\'esentation des m\'ecanismes + r\'eactionnels avec la synatxe "@{<nom>}" devant un atome o\`u + "@{<nom>,<coeff>}" au tout d\'ebut de l'argument d'une liaison. + Cette syntaxe permet de placer un nœud (au sens de tikz) qui + deviendra l'extr\'emit\'e des fl\`eches des m\'ecanismes. + Le trac\'e des fl\`eches est faite par la macro \chemmove dont + l'argument optionnel devient celui de l'environnement + tikspicture dans lequel sont faites les fl\`eches. + - Pour le m\'ecanisme d'alignement vertical via le \vphantom, la + commande \chemskipalign permet d'ignorer le groupe d'atomes + dans lequel elle est \'ecrite. + - La commande \chemname permet d'afficher un nom sous une + mol\'ecule. la commande \chemnameinit initialise la plus grande + profondeur rencontr\'ee. + - La commande \lewis a \'et\'e modifi\'ee de telle sorte que les + dessins des d\'ecorations soient proportionnels \`a la taille + de la police. +---------------------------------------------------------------------- +v0.3a 2011/01/08 + - Correction d'un bug dans l'argument optionnel de \definesubmol + lorsque celui-ci comporte des crochets. + - Mise \`a jour du manuel en anglais. + - Ajout de \vflipnext et \hflipnext pour retourner + horizontalement ou verticalement la prochaine mol\'ecule. +---------------------------------------------------------------------- +v0.4 2011/03/07 + - chemfig est d\'esormais \'ecrit en plain-etex et donc + utilisable par d'autres formats que LaTeX. + - Un peu plus de rigueur avec les catcodes des caract\`eres + sp\'eciaux, notamment lorsque la commande \chemfig se trouve + dans l'argument de \chemmove, \chemabove, \chembelow, \chemrel. + TODO : faut-il \scantoker l'argument de \chemfig pour \^etre + d\'efinitivement d\'ebarass\'e de ces histoires de catcode ??? + - Correction d'un bug dans le calcul de l'angle des liaisons
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