% --------------------------------------------------------------------------
% the MYCHEMISTRY package
%
% create reaction schemes with LaTeX and chemfig
%
% --------------------------------------------------------------------------
% Clemens Niederberger
% Web: https://www.bitbucket.org/cgnieder/mychemistry
% E-Mail: contact@mychemistry.eu
% --------------------------------------------------------------------------
% If you have any ideas, questions, suggestions or bugs to report, please
% feel free to contact me.
% --------------------------------------------------------------------------
% Copyright 2011--2012 Clemens Niederberger
%
% 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 Clemens Niederberger.
%
% This work consists of the files mychemistrysty, mychemistry_en.tex,
% README and the derived file mychemistry_en.pdf.
% --------------------------------------------------------------------------
\ProvidesPackage{mychemistry}[2012/12/19 v1.99b create reaction schemes with LaTeX and chemfig]
\RequirePackage{etoolbox,float,xkeyval,chemfig,chemmacros}
\usetikzlibrary{
arrows,
positioning,
decorations.pathmorphing,
shapes,
calc,
matrix,
chains,
scopes,
intersections}
% --------------------------------------------------------------------------
% Tools
\newif\ifmCh@strict
\newif\ifmCh@draft
\def\mCh@if@strict{%
\ifmCh@strict\expandafter\@firstoftwo\else\expandafter\@secondoftwo\fi}
\def\mCh@error#1#2{%
\mCh@if@strict
{\PackageError{mychemistry}{#1}{#2}}
{\PackageWarning{mychemistry}{#1}{#2}}}
\def\mCh@strict@error#1#2{%
\begingroup
\mCh@stricttrue
\mCh@error{#1}{#2}%
\endgroup}
\def\mCh@def#1{%
\ifdef{#1}{%
\mCh@strict@error{already defined}{mychemistry tries to define \string#1 but
it seems it is already defined. Please contact the author.}%
\@gobble
}{\def#1}}
% "variablen" definieren
\mCh@def\mCh@strip@bs{\expandafter\@gobble\string}
\mCh@def\mCh@ifis@variable#1#2#3{%
\ifcsdef{mCh@variable@\mCh@strip@bs#1}
{#2}
{\mCh@error{variable \string#1 undefined}{}#3}}
\mCh@def\mCh@new@variable#1{%
\ifcsdef{mCh@variable@\mCh@strip@bs#1}
{\mCh@error{variable \string#1 already defined. I'm doing nothing!}{}}
{\csdef{mCh@variable@\mCh@strip@bs#1}{}\csdef{mCh@\mCh@strip@bs#1}{}}}
\mCh@def\mCh@set@variable#1#2{%
\mCh@ifis@variable{#1}{\csdef{mCh@\mCh@strip@bs#1}{#2}}{\@gobble}}
\mCh@def\mCh@xset@variable#1#2{%
\mCh@ifis@variable{#1}{\csedef{mCh@\mCh@strip@bs#1}{#2}}{\@gobble}}
\mCh@def\mCh@clear@variable#1{%
\mCh@ifis@variable{#1}{\csdef{mCh@\mCh@strip@bs#1}{}}{}}
\mCh@def\mCh@let@variable#1#2{%
\mCh@ifis@variable{#1}{\mCh@ifis@variable{#2}
{\csletcs{mCh@\mCh@strip@bs#1}{mCh@\mCh@strip@bs#2}}{}}{}}
\mCh@def\mCh@empty@variable#1{%
\mCh@ifis@variable{#1}{\cslet{mCh@\mCh@strip@bs#1}\@empty}{}}
\mCh@def\mCh@ifeq@variable#1#2#3#4{%
\mCh@ifis@variable{#1}{\mCh@ifis@variable{#2}
{\ifcsequal{mCh@\mCh@strip@bs#1}{mCh@\mCh@strip@bs#2}{#3}{#4}}{}}{}}
\mCh@def\mCh@ifempty@variable#1#2#3{%
\ifcsequal{mCh@\mCh@strip@bs#1}{@empty}{#2}{#3}}
\mCh@new@variable\true
\mCh@new@variable\false
\mCh@set@variable\true{true}
\mCh@set@variable\false{false}
% Optional Argument Analysis
% is #2 part of #1? (inspired by \CF@if@instr by Christian Tellechea)
\mCh@def\mCh@if@instr#1#2{%
\def\mCh@if@instr@i##1#2##2\@nil{%
\ifstrempty{##2}{\@secondoftwo}{\@firstoftwo}}%
\mCh@if@instr@i#1\@@nil#2\@nil
}
\mCh@new@variable\firstarg
\mCh@new@variable\secondarg
\mCh@new@variable\thirdarg
% Am ersten , splitten, #1 in #3 speichern, #2 in \mCh@remainargs
% (das Makro ist eine Kopie von \CF@analyze@movearg in chemfig.tex von Christian Tellechea)
\mCh@def\mCh@splitfirst#1,#2\@nil#3{%
\def#3{#1}\def\mCh@remainargs{#2}%
}
% ein durch , in 3 Teile getrenntes Argument splitten
% (das Makro ist eine Abwandlung von \CF@analyze@movearg in chemfig.tex von Christian Tellechea)
\mCh@def\mCh@splitarg#1{%
\mCh@if@instr{#1}{,}
{\expandafter\mCh@splitfirst#1\@nil\mCh@firstarg}
{\mCh@set@variable\firstarg{#1}}%
\expandafter\mCh@if@instr\expandafter{\mCh@remainargs}{,}
{\expandafter\mCh@splitfirst\mCh@remainargs\@nil\mCh@secondarg}{\expandafter\mCh@set@variable\expandafter\secondarg\expandafter{\mCh@remainargs}}%
\ifx\mCh@remainargs\mCh@secondarg
\mCh@empty@variable\thirdarg
\else
\expandafter\mCh@set@variable\expandafter\thirdarg\expandafter{\mCh@remainargs}%
\fi
}
% --------------------------------------------------------------------------
% options
\define@key[MC]{mychemistry.sty}{strict}{\mCh@stricttrue}
\DeclareOptionX[MC]{strict}{\mCh@stricttrue}
\define@key[MC]{mychemistry.sty}{draft}{\mCh@stricttrue\mCh@drafttrue}
\DeclareOptionX[MC]{draft}{\mCh@stricttrue\mCh@drafttrue}
\define@key[MC]{mychemistry.sty}{final}{\mCh@strictfalse\mCh@draftfalse}
\DeclareOptionX[MC]{final}{\mCh@strictfalse\mCh@draftfalse}
\mCh@new@variable\rs@placement
\mCh@new@variable\rs@currentplacement
\mCh@set@variable\rs@placement{hpt}
\mCh@let@variable\rs@currentplacement\rs@placement
\define@key[MC]{mychemistry.sty}{placement}{%
\mCh@set@variable\rs@placement{#1}}
\ProcessOptionsX[MC]
% --------------------------------------------------------------------------
% language settings
\mCh@new@variable\rs@name
\mCh@set@variable\rs@name{Reaction scheme}
\RequirePackage{translations}
\NewTranslation{English} {reaction-scheme-(caption-title)} {Reaction scheme}
\NewTranslation{French} {reaction-scheme-(caption-title)} {Sch\'{e}ma r\'{e}actionnel}
\NewTranslation{German} {reaction-scheme-(caption-title)} {Reaktionsschema}
\NewTranslation{Italian} {reaction-scheme-(caption-title)} {Reazione Scheme}
\NewTranslation{Spanish} {reaction-scheme-(caption-title)} {Esquema de Reacci\'{o}n}
\mCh@set@variable\rs@name{\GetTranslation{reaction-scheme-(caption-title)}}
% --------------------------------------------------------------------------
% Direction Analysis
% Richtungen:
\mCh@new@variable\r
\mCh@new@variable\ar
\mCh@new@variable\a
\mCh@new@variable\al
\mCh@new@variable\l
\mCh@new@variable\br
\mCh@new@variable\b
\mCh@new@variable\bl
\mCh@set@variable\r{right}
\mCh@set@variable\ar{above right}
\mCh@set@variable\a{above}
\mCh@set@variable\al{above left}
\mCh@set@variable\l{left}
\mCh@set@variable\br{below right}
\mCh@set@variable\b{below}
\mCh@set@variable\bl{below left}
\mCh@new@variable\vert@i
\mCh@new@variable\vert@ii
\mCh@new@variable\vert@iii
\mCh@set@variable\vert@i{90}
\mCh@set@variable\vert@ii{-90}
\mCh@set@variable\vert@iii{270}
% Richtung in Bezug auf node oder nicht?
\mCh@new@variable\direction
\mCh@def\mCh@split@angle#1.#2\@nil#3{%
\def#3{#1}\mCh@set@variable\direction{#2}}
\mCh@def\mCh@wowo@node#1{%
\mCh@if@instr{#1}{.}
{\expandafter\mCh@split@angle#1\@nil\mCh@referred@node}
{\mCh@set@variable\direction{#1}}}
% Winkel bestimmen:
\mCh@new@variable\angle
\mCh@new@variable\referred@node
\mCh@def\mCh@analyze@angle#1{%
\mCh@empty@variable\angle
\mCh@empty@variable\referred@node
\mCh@wowo@node{#1}%
\mCh@ifeq@variable\direction\r {\mCh@set@variable\angle{0}}{}%
\mCh@ifeq@variable\direction\ar {\mCh@set@variable\angle{45}}{}%
\mCh@ifeq@variable\direction\a {\mCh@set@variable\angle{90}}{}%
\mCh@ifeq@variable\direction\al {\mCh@set@variable\angle{135}}{}%
\mCh@ifeq@variable\direction\l {\mCh@set@variable\angle{180}}{}%
\mCh@ifeq@variable\direction\bl {\mCh@set@variable\angle{225}}{}%
\mCh@ifeq@variable\direction\b {\mCh@set@variable\angle{270}}{}%
\mCh@ifeq@variable\direction\br {\mCh@set@variable\angle{315}}{}%
\mCh@ifempty@variable\angle{%
\pgfmathparse{\mCh@direction <0 ? int(\mCh@direction+360) : int(\mCh@direction) }%
\mCh@xset@variable\angle{\pgfmathresult}%
}{}%
}
% --------------------------------------------------------------------------
% PFEILE
% \arrow[<pos>,<type>,<length factor>,<name>,both,<tikz>]{<above>}{<below>}
% Pfeiltypen:
\mCh@new@variable\arrow@type@def
\mCh@new@variable\arrow@type@eqv
\mCh@new@variable\arrow@type@back
\mCh@new@variable\arrow@type@eq
\mCh@new@variable\arrow@type@eqq
\mCh@new@variable\arrow@type@eeq
\mCh@new@variable\arrow@type@not
\mCh@new@variable\arrow@type@pm
\mCh@set@variable\arrow@type@def{->}
\mCh@set@variable\arrow@type@eqv{<->}
\mCh@set@variable\arrow@type@back{<-}
\mCh@set@variable\arrow@type@eq{<=>}
\mCh@set@variable\arrow@type@eqq{<=>>}
\mCh@set@variable\arrow@type@eeq{<<=>}
\mCh@set@variable\arrow@type@not{-|>}
\mCh@set@variable\arrow@type@pm{-+>}
% Voreinstellungen
% Pfeillänge
\mCh@new@variable\arrow@length@def
\mCh@new@variable\arrow@length
\mCh@new@variable\arrow@factor
\mCh@set@variable\arrow@length@def{4em}
\let\mCh@arrow@length\mCh@arrow@length@def
\mCh@set@variable\arrow@factor{1}
\newrobustcmd\setarrowlength[1]{%
\ifblank{#1}
{\mCh@let@variable\arrow@length\arrow@length@def}
{\mCh@set@variable\arrow@length{#1}}}
% Label-Abstand
\mCh@new@variable\arrow@label@dist@def
\mCh@new@variable\arrow@label@dist
\mCh@set@variable\arrow@label@dist@def{.2em}
\mCh@let@variable\arrow@label@dist\arrow@label@dist@def
\newrobustcmd\setarrowlabel[1]{%
\ifblank{#1}
{\mCh@let@variable\arrow@label@dist\arrow@label@dist@def}
{\mCh@set@variable\arrow@label@dist{#1}}}
% Pfeildicke
\mCh@new@variable\arrow@linethickness@default
\mCh@new@variable\arrow@linethickness
\mCh@set@variable\arrow@linethickness@default{semithick}
\mCh@let@variable\arrow@linethickness\arrow@linethickness@default
\newrobustcmd\setarrowline[1]{%
\ifblank{#1}
{\mCh@let@variable\arrow@linethickness\arrow@linethickness@default}
{\mCh@set@variable\arrow@linethickness{#1}}}
% Winkel untersuchen, um Label richtig anzubringen
\mCh@new@variable\beta
\mCh@new@variable\arrow@label@anchor@up
\mCh@new@variable\arrow@label@anchor@down
\mCh@new@variable\arrow@label@anchor@add
\mCh@new@variable\arrow@label@anchor@sub
\newcount\mCh@alpha
\mCh@def\mCh@evaluate@angle#1{
\mCh@alpha=#1
\pgfmathparse{cos(\mCh@alpha) > 0}
\ifnum\pgfmathresult=1
\mCh@set@variable\beta{#1}%
\mCh@set@variable\arrow@label@anchor@up{south}%
\mCh@set@variable\arrow@label@anchor@down{north}%
\ifnum\mCh@alpha<180
\mCh@set@variable\arrow@label@anchor@add{east}%
\mCh@set@variable\arrow@label@anchor@sub{south}%
\else
\mCh@set@variable\arrow@label@anchor@add{south}%
\mCh@set@variable\arrow@label@anchor@sub{west}%
\fi
\else
\pgfmathparse{cos(\mCh@alpha) == 0}%
\ifnum\pgfmathresult=1
\mCh@set@variable\beta{0}%
\ifnum\mCh@alpha=90
\mCh@set@variable\arrow@label@anchor@up{east}%
\mCh@set@variable\arrow@label@anchor@down{west}%
\mCh@set@variable\arrow@label@anchor@add{east}%
\mCh@set@variable\arrow@label@anchor@sub{east}%
\else
\mCh@set@variable\arrow@label@anchor@up{west}%
\mCh@set@variable\arrow@label@anchor@down{east}%
\mCh@set@variable\arrow@label@anchor@add{west}%
\mCh@set@variable\arrow@label@anchor@sub{west}%
\fi
\else
\mCh@set@variable\arrow@label@anchor@up{north}%
\mCh@set@variable\arrow@label@anchor@down{south}%
\ifnum\mCh@alpha=180
\mCh@set@variable\beta{180-#1}%
\mCh@set@variable\arrow@label@anchor@add{north}%
\mCh@set@variable\arrow@label@anchor@sub{north}%
\fi
\ifnum\mCh@alpha>180
\mCh@set@variable\beta{180+#1}%
\mCh@set@variable\arrow@label@anchor@add{west}%
\mCh@set@variable\arrow@label@anchor@sub{north}%
\fi
\ifnum\mCh@alpha<180
\mCh@set@variable\beta{180+#1}%
\mCh@set@variable\arrow@label@anchor@add{north}%
\mCh@set@variable\arrow@label@anchor@sub{east}%
\fi
\fi
\fi
}
% Maße der Nodes der Pfeilargumente bestimmen, größere später an Pfeil weitergeben
\mCh@new@variable\arrow@both
\mCh@set@variable\arrow@both{both}
\newlength{\mCh@height@A}
\newlength{\mCh@height@B}
\newlength{\mCh@arrow@label@height}
\newlength{\mCh@width@A}
\newlength{\mCh@width@B}
\newlength{\mCh@arrow@label@width}
\mCh@def\mCh@savenode{%
\global\let\mCh@minx=\pgfpositionnodelaterminx
\global\let\mCh@maxx=\pgfpositionnodelatermaxx
\global\let\mCh@miny=\pgfpositionnodelaterminy
\global\let\mCh@maxy=\pgfpositionnodelatermaxy
}
% der nächste Befehl benötigt pgf v2.10!
\mCh@def\mCh@largernode#1#2{%
\ifdef\pgfpositionnodelater{%
\pgfpositionnodelater{\mCh@savenode}%
\node{#1};
\deflength{\mCh@width@A}{\mCh@maxx-\mCh@minx}%
\deflength{\mCh@height@A}{\mCh@maxy-\mCh@miny}%
\node{#2};
\deflength{\mCh@width@B}{\mCh@maxx-\mCh@minx}%
\deflength{\mCh@height@B}{\mCh@maxy-\mCh@miny}%
\pgfmathsetlength{\mCh@arrow@label@width}{max(\mCh@width@A,\mCh@width@B)}%
\pgfmathsetlength{\mCh@arrow@label@height}{max(\mCh@height@A,\mCh@height@B)}%
\global\mCh@arrow@label@width=\mCh@arrow@label@width
\global\mCh@arrow@label@height=\mCh@arrow@label@height
}{%
\mCh@error{%
The command \string\pgfpositionnodelater\space is undefined. Make sure,
you have installed the latest version of pgf}{}%
}%
}
% Pfeil zeichnen:
\newrobustcmd\mCh@arrow[3][]{%
\ifstrempty{#1}
{\mCh@arrow@i}{\mCh@arrow@ii[#1]}
{#2}{#3}}
\mCh@def\mCh@arrow@i#1#2{%
\node[on chain=going {at=(\tikzchainprevious.0)},
minimum size=0,
inner sep=3pt,
outer sep=0,
anchor=180,
shift=(0:.5*\mCh@rxn@node@distance)] (@mCh@arrow@start){};
\node[on chain=going {at=(\tikzchainprevious.0),
shift=($(0:.5*\mCh@arrow@factor*\mCh@arrow@length)$)},
minimum size=0,
inner sep=3pt,
outer sep=0] (@mCh@arrow@end){};
\draw[-mCtip,\mCh@arrow@linethickness]
let \n1={0}, \n2={180}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](mCh@arrow@center){}
++($(0:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\node\expandafter[\mCh@arrow@uplabel@visible,
rotate=0,
anchor=south,
inner sep=0]
at ($(mCh@arrow@center)!\mCh@arrow@label@dist!90:(@mCh@arrow@end)$){#1};
\expandafter\node\expandafter[\mCh@arrow@downlabel@visible,
rotate=0,
anchor=north,
inner sep=0]
at ($(mCh@arrow@center)!\mCh@arrow@label@dist!-90:(@mCh@arrow@end)$){#2};
}
\mCh@new@variable\arrow@plusminus
\mCh@new@variable\anchor
\mCh@new@variable\arrow@tikz
\mCh@new@variable\arrow@type@valid
\mCh@new@variable\arrow@type
\mCh@new@variable\arrow@type@actual
\mCh@new@variable\arrow@name
\mCh@def\mCh@arrow@ii[#1]#2#3{%
\mCh@empty@variable\arrow@plusminus
\mCh@empty@variable\arrow@type
\let\mCh@remainargs\@empty
\mCh@splitarg{#1}%
\mCh@ifempty@variable\firstarg{% erste Option: Richtung
\mCh@set@variable\angle{0}%
\mCh@set@variable\beta{0}%
\mCh@set@variable\arrow@label@anchor@up{south}%
\mCh@set@variable\arrow@label@anchor@down{north}%
\mCh@set@variable\arrow@label@anchor@add{south}%
\mCh@set@variable\arrow@label@anchor@sub{south}%
\mCh@set@variable\anchor{180}%
\mCh@empty@variable\referred@node
}{%
\expandafter\mCh@analyze@angle\expandafter{\mCh@firstarg}%
\mCh@set@variable\anchor{180+\mCh@angle}%
\mCh@evaluate@angle{\mCh@angle}%
}
\mCh@ifempty@variable\referred@node{%
\mCh@set@variable\referred@node{\tikzchainprevious}%
}{}%
\mCh@ifempty@variable\secondarg{}{% zweite Option: Typ
\mCh@set@variable\arrow@type{true}
\mCh@let@variable\arrow@type@actual\secondarg
}%
\let\mCh@remainargs\@empty%
\expandafter\mCh@splitarg\expandafter{\mCh@thirdarg}%
\mCh@ifempty@variable\firstarg{% dritte Option: Längenfaktor
\mCh@set@variable\arrow@factor{1}%
}{%
\mCh@xset@variable\arrow@factor{\mCh@firstarg}%
}%
\mCh@ifempty@variable\secondarg{% vierte Option: Name
\mCh@set@variable\arrow@name{mCh@arrow@center}%
}{%
\mCh@xset@variable\arrow@name{\mCh@secondarg}%
}%
\let\mCh@remainargs\@empty%
\expandafter\mCh@splitarg\expandafter{\mCh@thirdarg}%
\mCh@ifeq@variable\arrow@both\firstarg% fünfte Option: both
{{\mCh@largernode{#2}{#3}}}%
{%
\deflength{\mCh@arrow@label@width}{0pt}%
\deflength{\mCh@arrow@label@height}{0pt}%
}%
\mCh@ifempty@variable\secondarg{% sechste Option: tikz
\mCh@empty@variable\arrow@tikz
}{%
\mCh@xset@variable\arrow@tikz{\mCh@secondarg,\mCh@thirdarg}%
}%
\node[on chain=going {at=(\mCh@referred@node.\mCh@angle)},
minimum size=0,
inner sep=3pt,
outer sep=0,
anchor=\mCh@anchor,
shift=(\mCh@angle:.5*\mCh@rxn@node@distance)] (@mCh@arrow@start){};
\node[on chain=going {at=(\tikzchainprevious.\mCh@angle),
shift=($(\mCh@angle:.5*\mCh@arrow@factor*\mCh@arrow@length)$)},
minimum size=0,
inner sep=3pt,
outer sep=0] (@mCh@arrow@end){};
\mCh@ifeq@variable\arrow@type\true{%
\mCh@let@variable\arrow@type@valid\false
\mCh@ifeq@variable\arrow@type@actual\arrow@type@eq{% <=>
\mCh@let@variable\arrow@type@valid\true
\expandafter\draw\expandafter[\mCh@arrow@tikz,
-mChtip,
\mCh@arrow@linethickness]
let \n1={20+\mCh@angle}, \n2={160+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](mCh@arrow@center@up){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\draw\expandafter[\mCh@arrow@tikz,
mChtip-,
\mCh@arrow@linethickness]
let \n1={-20+\mCh@angle}, \n2={200+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](mCh@arrow@center@down){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\draw[draw=none]
let \n1={\mCh@angle}, \n2={180+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](\mCh@arrow@name){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\node\expandafter[\mCh@arrow@uplabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@up,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,
inner sep=0]
at ($(mCh@arrow@center@up)!\mCh@arrow@label@dist!90:(@mCh@arrow@end)$){#2};
\expandafter\node[\expandafter\mCh@arrow@downlabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@down,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,
inner sep=0]
at ($(mCh@arrow@center@down)!\mCh@arrow@label@dist!-90:(@mCh@arrow@end)$){#3};
}{}%
\mCh@ifeq@variable\arrow@type@actual\arrow@type@eqq{% <=>>
\mCh@let@variable\arrow@type@valid\true
\expandafter\draw\expandafter[\mCh@arrow@tikz,
-mChtip,
\mCh@arrow@linethickness]
let \n1={20+\mCh@angle}, \n2={160+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](mCh@arrow@center@up){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\draw\expandafter[\mCh@arrow@tikz,
mChtip-,
\mCh@arrow@linethickness]
let \n1={-20+\mCh@angle}
in ($(@mCh@arrow@start.\n1)+(\mCh@angle:.25*\mCh@arrow@factor*\mCh@arrow@length)$)
--node[pos=.5,inner sep=0](mCh@arrow@center@down){}
++($(\mCh@angle:.5*\mCh@arrow@factor*\mCh@arrow@length)$);
\draw[draw=none] let \n1={\mCh@angle}, \n2={180+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](\mCh@arrow@name){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\node\expandafter[\mCh@arrow@uplabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@up,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,
inner sep=0]
at ($(mCh@arrow@center@up)!\mCh@arrow@label@dist!90:(@mCh@arrow@end)$){#2};
\expandafter\node\expandafter[\mCh@arrow@downlabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@down,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,
inner sep=0]
at ($(mCh@arrow@center@down)!\mCh@arrow@label@dist!-90:(@mCh@arrow@end)$){#3};
}{}%
\mCh@ifeq@variable\arrow@type@actual\arrow@type@eeq{% <<=>
\mCh@let@variable\arrow@type@valid\true
\expandafter\draw\expandafter[\mCh@arrow@tikz,
-mChtip,
\mCh@arrow@linethickness]
let \n1={20+\mCh@angle}, \n2={160+\mCh@angle}
in ($(@mCh@arrow@start.\n1)+(\mCh@angle:.25*\mCh@arrow@factor*\mCh@arrow@length)$)
--node[pos=.5,inner sep=0](mCh@arrow@center@up){}
++($(\mCh@angle:.5*\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\draw\expandafter[\mCh@arrow@tikz,
mChtip-,
\mCh@arrow@linethickness]
let \n1={-20+\mCh@angle}, \n2={200+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](mCh@arrow@center@down){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\draw[draw=none]
let \n1={\mCh@angle}, \n2={180+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](\mCh@arrow@name){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\node\expandafter[\mCh@arrow@uplabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@up,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,
inner sep=0]
at ($(mCh@arrow@center@up)!\mCh@arrow@label@dist!90:(@mCh@arrow@end)$){#2};
\expandafter\node\expandafter[\mCh@arrow@downlabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@down,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,
inner sep=0]
at ($(mCh@arrow@center@down)!\mCh@arrow@label@dist!-90:(@mCh@arrow@end)$){#3};
}{}%
\mCh@ifeq@variable\arrow@type@actual\arrow@type@def{% ->
\mCh@let@variable\arrow@type@valid\true
\expandafter\draw\expandafter[\mCh@arrow@tikz,
-mCtip,
\mCh@arrow@linethickness,
\mCh@arrow@tikz]
let \n1={\mCh@angle}, \n2={180+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](\mCh@arrow@name){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\node\expandafter[\mCh@arrow@uplabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@up,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height]
at ($(\mCh@arrow@name)!\mCh@arrow@label@dist!90:(@mCh@arrow@end)$){#2};
\expandafter\node\expandafter[\mCh@arrow@downlabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@down,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height]
at ($(\mCh@arrow@name)!\mCh@arrow@label@dist!-90:(@mCh@arrow@end)$){#3};
}{}%
\mCh@ifeq@variable\arrow@type@actual\arrow@type@eqv{% <->
\mCh@let@variable\arrow@type@valid\true
\expandafter\draw\expandafter[\mCh@arrow@tikz,
mCtip-mCtip,
\mCh@arrow@linethickness]
let \n1={\mCh@angle}, \n2={180+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](\mCh@arrow@name){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\node\expandafter[\mCh@arrow@uplabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@up,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,inner sep=0]
at ($(\mCh@arrow@name)!\mCh@arrow@label@dist!90:(@mCh@arrow@end)$){#2};
\expandafter\node\expandafter[\mCh@arrow@downlabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@down,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,inner sep=0]
at ($(\mCh@arrow@name)!\mCh@arrow@label@dist!-90:(@mCh@arrow@end)$){#3};
}{}%
\mCh@ifeq@variable\arrow@type@actual\arrow@type@back{% <-
\mCh@let@variable\arrow@type@valid\true
\expandafter\draw\expandafter[\mCh@arrow@tikz,
mCtip-,
\mCh@arrow@linethickness]
let \n1={\mCh@angle}, \n2={180+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](\mCh@arrow@name){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\node\expandafter[\mCh@arrow@uplabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@up,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,
inner sep=0] at ($(\mCh@arrow@name)!\mCh@arrow@label@dist!90:(@mCh@arrow@end)$){#2};
\expandafter\node\expandafter[\mCh@arrow@downlabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@down,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,
inner sep=0]
at ($(\mCh@arrow@name)!\mCh@arrow@label@dist!-90:(@mCh@arrow@end)$){#3};
}{}%
\mCh@ifeq@variable\arrow@type@actual\arrow@type@not{% -|>
\mCh@let@variable\arrow@type@valid\true
\expandafter\draw\expandafter[\mCh@arrow@tikz,
-mCtip,
\mCh@arrow@linethickness]
let \n1={\mCh@angle}, \n2={180+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](\mCh@arrow@name){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\node\expandafter[\mCh@arrow@uplabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@up,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,
inner sep=0] at ($(\mCh@arrow@name)!.8em!90:(@mCh@arrow@end)$){#2};
\expandafter\node\expandafter[\mCh@arrow@downlabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@down,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,inner sep=0]
at ($(\mCh@arrow@name)!.8em!-90:(@mCh@arrow@end)$){#3};
\draw ($(mCh@arrow@center)!.6em!-110:(@mCh@arrow@end)+(\mCh@angle:.1em)$)
--($(mCh@arrow@center)!.6em!70:(@mCh@arrow@end)+(\mCh@angle:.1em)$);
\draw ($(mCh@arrow@center)!.6em!-110:(@mCh@arrow@end)+(180+\mCh@angle:.1em)$)
--($(mCh@arrow@center)!.6em!70:(@mCh@arrow@end)+(180+\mCh@angle:.1em)$);
}{}%
\mCh@ifeq@variable\arrow@type@actual\arrow@type@pm{% -+>
\mCh@let@variable\arrow@type@valid\true
\mCh@let@variable\arrow@plusminus\true
\draw[-mCtip,\mCh@arrow@linethickness]
let \n1={\mCh@angle}, \n2={180+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](\mCh@arrow@name){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
}{}%
\mCh@ifeq@variable\arrow@type@valid\false
{\mCh@error{Unknown arrow type `\mCh@arrow@type@actual'}{}}{}%
}{% default: ->
\expandafter\draw\expandafter[\mCh@arrow@tikz,
-mCtip,
\mCh@arrow@linethickness]
let \n1={\mCh@angle}, \n2={180+\mCh@angle}
in (@mCh@arrow@start.\n1) --node[pos=.5,inner sep=0](\mCh@arrow@name){}
++($(\mCh@angle:\mCh@arrow@factor*\mCh@arrow@length)$);
\expandafter\node\expandafter[\mCh@arrow@uplabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@up,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,inner sep=0]
at ($(\mCh@arrow@name)!\mCh@arrow@label@dist!90:(@mCh@arrow@end)$){#2};
\expandafter\node\expandafter[\mCh@arrow@downlabel@visible,
rotate=\mCh@beta,
anchor=\mCh@arrow@label@anchor@down,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height,inner sep=0]
at ($(\mCh@arrow@name)!\mCh@arrow@label@dist!-90:(@mCh@arrow@end)$){#3};
}%
\mCh@ifempty@variable\arrow@plusminus{}{%
\ifstrempty{#2}{}{%
\draw (\mCh@arrow@name.base) edge[bend left]
++(${0.6667}*(146.3+\mCh@angle:.5*\mCh@arrow@factor*\mCh@arrow@length)$);
\node[anchor=\mCh@arrow@label@anchor@add,
inner sep=\mCh@arrow@label@dist,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height]
at ($(\mCh@arrow@name.base)+{0.6667}*(146.3+\mCh@angle:.5*\mCh@arrow@factor*\mCh@arrow@length)$) {#2};
}%
\ifstrempty{#3}{}{%
\draw (\mCh@arrow@name.base) edge[bend right,-mCtip]
++(${0.6667}*(33.7+\mCh@angle:.5*\mCh@arrow@factor*\mCh@arrow@length)$);
\node[anchor=\mCh@arrow@label@anchor@sub,
inner sep=\mCh@arrow@label@dist,
minimum width=\mCh@arrow@label@width,
minimum height=\mCh@arrow@label@height]
at ($(\mCh@arrow@name.base)+{0.6667}*(33.7+\mCh@angle:.5*\mCh@arrow@factor*\mCh@arrow@length)$) {#3};
}%
}%
\mCh@set@variable\arrow@factor{1}%
}
% eigene Pfeilspitze ------------------------------------------------------------------ %
\pgfarrowsdeclare{mCtip}{mCtip}
{%
\arrowsize=0.2pt
\advance\arrowsize by .5\pgflinewidth
\pgfarrowsleftextend{-4\arrowsize-.5\pgflinewidth}%
\pgfarrowsrightextend{.5\pgflinewidth}%
}
{%
\pgfsetdash{}{0pt}% do not dash
\pgfsetroundjoin% fix join
\pgfsetroundcap% fix cap
\pgfpathmoveto{\pgfpointorigin}%
\pgfpathlineto{\pgfpoint{-3pt}{1pt}}%
\pgfpathlineto{\pgfpoint{-1.5pt}{0pt}}%
\pgfpathlineto{\pgfpoint{-3pt}{-1pt}}%
\pgfpathlineto{\pgfpoint{0pt}{0pt}}%
\pgfusepathqfillstroke
}
\pgfarrowsdeclare{mChtip}{mChtip}
{%
\arrowsize=0.2pt
\advance\arrowsize by .5\pgflinewidth
\pgfarrowsleftextend{-4\arrowsize-.5\pgflinewidth}%
\pgfarrowsrightextend{.5\pgflinewidth}%
}
{%
\pgfsetdash{}{0pt}% do not dash
\pgfsetroundjoin% fix join
\pgfsetroundcap% fix cap
\pgfpathmoveto{\pgfpoint{0pt}{0pt}}%
\pgfpathlineto{\pgfpoint{-3pt}{1pt}}%
\pgfpathlineto{\pgfpoint{-1.5pt}{0pt}}%
\pgfpathlineto{\pgfpoint{0pt}{0pt}}%
\pgfusepathqfillstroke
}
% --------------------------------------------------------------------------
% MERGE
% \merge[<label>,<pos>,<length>]{<target>}{<start a>}{<start b>}
\mCh@new@variable\merge@length
\mCh@new@variable\merge@length@default
\mCh@new@variable\merge@length@value
\mCh@new@variable\merge@arg
\mCh@new@variable\merge@to
\mCh@new@variable\merge@from@one
\mCh@new@variable\merge@from@two
\mCh@set@variable\merge@length@default{3em}
\mCh@let@variable\merge@length@value\merge@length@default
% Basisbefehle
\mCh@def\mCh@merge@right{%
\draw[mCtip-,\mCh@arrow@linethickness]
($(\mCh@merge@to.west)+(-\mCh@rxn@node@distance,0)$)
--node[midway,above,yshift=.1em]{\mCh@merge@arg}
++(-\mCh@merge@length,0) node(crossing) {};
\draw[\mCh@arrow@linethickness]
($(\mCh@merge@from@one.east)+(\mCh@rxn@node@distance,0)$) -| (crossing.base);
\draw[\mCh@arrow@linethickness]
($(\mCh@merge@from@two.east)+(\mCh@rxn@node@distance,0)$) -| (crossing.base);
}
\mCh@def\mCh@merge@above{%
\draw[mCtip-,\mCh@arrow@linethickness]
($(\mCh@merge@to.south)+(0,-\mCh@rxn@node@distance)$)
--node[midway,right,xshift=.1em]{\mCh@merge@arg}
++(0,-\mCh@merge@length) node(crossing) {};
\draw[\mCh@arrow@linethickness]
(crossing.base) -| ($(\mCh@merge@from@one.north)+(0,\mCh@rxn@node@distance)$);
\draw[\mCh@arrow@linethickness]
(crossing.base) -| ($(\mCh@merge@from@two.north)+(0,\mCh@rxn@node@distance)$);
}
\mCh@def\mCh@merge@left{%
\draw[mCtip-,\mCh@arrow@linethickness]
($(\mCh@merge@to.east)+(\mCh@rxn@node@distance,0)$)
--node[midway,above,yshift=.1em]{\mCh@merge@arg}
++(\mCh@merge@length,0) node(crossing) {};
\draw[\mCh@arrow@linethickness]
($(\mCh@merge@from@one.west)+(-\mCh@rxn@node@distance,0)$) -| (crossing.base);
\draw[\mCh@arrow@linethickness]
($(\mCh@merge@from@two.west)+(-\mCh@rxn@node@distance,0)$) -| (crossing.base);
}
\mCh@def\mCh@merge@below{%
\draw[mCtip-,\mCh@arrow@linethickness]
($(\mCh@merge@to.north)+(0,\mCh@rxn@node@distance)$)
--node[midway,right,xshift=.1em]{\mCh@merge@arg}
++(0,\mCh@merge@length) node(crossing) {};
\draw[\mCh@arrow@linethickness]
(crossing.base) -| ($(\mCh@merge@from@one.south)+(0,-\mCh@rxn@node@distance)$);
\draw[\mCh@arrow@linethickness]
(crossing.base) -| ($(\mCh@merge@from@two.south)+(0,-\mCh@rxn@node@distance)$);
}
% eigentlicher Befehl ----------------------------------------------------------------- %
\newrobustcmd\mCh@merge[4][]{%
\ifblank{#1}
{\mCh@merge@i}{\mCh@merge@ii[#1]}
{#2}{#3}{#4}}
\mCh@def\mCh@merge@i#1#2#3{%
\mCh@let@variable\merge@length\merge@length@value
\mCh@empty@variable\merge@arg
\mCh@set@variable\merge@to{#1}%
\mCh@set@variable\merge@from@one{#2}%
\mCh@set@variable\merge@from@two{#3}%
\mCh@merge@below
}
\mCh@def\mCh@merge@ii[#1]#2#3#4{%
\let\mCh@remainargs\@empty
\mCh@splitarg{#1}%
\mCh@ifempty@variable\firstarg
{\mCh@empty@variable\merge@arg}
{\mCh@let@variable\merge@arg\firstarg}%
\mCh@ifempty@variable\thirdarg
{\mCh@let@variable\merge@length\merge@length@value}
{\mCh@set@variable\merge@length{\mCh@thirdarg}}%
\mCh@set@variable\merge@to{#2}%
\mCh@set@variable\merge@from@one{#3}%
\mCh@set@variable\merge@from@two{#4}%
\mCh@ifempty@variable\secondarg
{\mCh@merge@below}
{\csuse{mCh@merge@\mCh@secondarg}}%
}
\newrobustcmd\setmergelength[1]{%
\ifblank{#1}
{\mCh@let@variable\merge@length@value\merge@length@default}
{\mCh@set@variable\merge@length@value{#1}}}
% --------------------------------------------------------------------------
% REAKTIONSSCHEMA
\newlength\mCh@rxn@node@distance@default
\newlength\mCh@rxn@node@distance
\deflength\mCh@rxn@node@distance@default{1em}
\deflength\mCh@rxn@node@distance{\mCh@rxn@node@distance@default}
\newrobustcmd\setrcndist[1]{%
\ifblank{#1}
{\deflength\mCh@rxn@node@distance{\mCh@rxn@node@distance@default}}
{\deflength\mCh@rxn@node@distance{#1}}}
% Schema
% \begin{rxnscheme}[<label>,<placement>,<align>,<scale factor>,<name>]{<caption>}
\mCh@new@variable\rs@scale
\mCh@new@variable\rs@currentscale
\mCh@set@variable\rs@scale{1.0}
\mCh@set@variable\rs@currentscale{\mCh@rs@scale}
\newrobustcmd\setschemename[1]{%
\mCh@set@variable\rs@name{#1}}
\mCh@new@variable\rs@caption
\mCh@new@variable\rs@label
\mCh@new@variable\rs@currentlabel
\mCh@new@variable\rs@align
\mCh@new@variable\rs@right
\mCh@new@variable\rs@center
\mCh@new@variable\rs@left
\mCh@let@variable\rs@currentlabel\rs@label
\mCh@set@variable\rs@align{center}
\mCh@set@variable\rs@right{right}
\mCh@set@variable\rs@center{center}
\mCh@set@variable\rs@left{left}
\newrobustcmd\setschemealign[1]{%
\ifblank{#1}
{\mCh@set@variable\rs@align{center}}
{\mCh@set@variable\rs@align{#1}}}
% Gleitumgebung
\floatstyle{ruled}
\newfloat{rxnfloat}{\mCh@rs@currentplacement}{rxnscheme}
\floatname{rxnfloat}{\mCh@rs@name}% Name ändern
% eigentliche Umgebung:
\newrobustcmd\mCh@rxnscheme[2][]{%
\ifblank{#1}
{\mCh@rxnscheme@i}
{\mCh@empty@variable\rs@currentlabel\mCh@rxnscheme@ii[#1]}%
{#2}}
\mCh@def\mCh@rxnscheme@ii[#1]#2{% [<label>,<placement>,<align>,<scale>,<name>]
\let\mCh@remainargs\@empty
\mCh@splitarg{#1}%
\mCh@ifempty@variable\firstarg% erste Option
{\mCh@empty@variable\rs@currentlabel}
{\mCh@let@variable\rs@currentlabel\firstarg}%
\mCh@ifempty@variable\secondarg% zweite Option
{\mCh@let@variable\rs@currentplacement\rs@placement}
{\mCh@let@variable\rs@currentplacement\secondarg}%
\let\mCh@remainargs\@empty
\expandafter\mCh@splitarg\expandafter{\mCh@thirdarg}%
\mCh@ifempty@variable\firstarg% dritte Option
{\mCh@set@variable\rs@align{center}}
{\mCh@let@variable\rs@align\firstarg}%
\mCh@ifempty@variable\secondarg% vierte Option
{\mCh@set@variable\rs@currentscale{1}}
{\mCh@let@variable\rs@currentscale\secondarg}%
\mCh@ifempty@variable\thirdarg{}% fünfte Option
{\mCh@let@variable\rs@name\thirdarg}%
\mCh@rxnscheme@i{#2}%
}
\mCh@def\mCh@scheme@enable{%
\let\arrow\mCh@arrow
\let\reactant\mCh@reactant
\let\mesomeric\mCh@mesomeric
\let\transition\mCh@transition
\let\anywhere\mCh@anywhere
\let\dummy\mCh@dummy
\let\branch\mCh@branch
\let\chemand\mCh@chemand
\let\merge\mCh@merge
% \let\elmove\mCh@elmove
}
\mCh@def\mCh@scheme@disable{%
\let\arrow\relax
\let\reactant\relax
\let\mesomeric\relax
\let\transition\relax
\let\anywhere\relax
\let\dummy\relax
\let\branch\relax
\let\chemand\relax
\let\merge\relax
% \let\elmove\relax
}
\mCh@def\mCh@rxnscheme@i#1{%
\mCh@scheme@enable
\mCh@set@variable\rs@caption{#1}%
\rxnfloat
\mCh@ifeq@variable\rs@align\rs@center{\centering}{}%
\mCh@ifeq@variable\rs@align\rs@left{\raggedright}{}%
\mCh@ifeq@variable\rs@align\rs@right{\raggedleft}{}%
\mCh@atomsize\mCh@bondlength\mCh@bondshape
\tikzpicture[
every picture/.style={scale=\mCh@rs@currentscale},
start chain,
node distance=\mCh@rxn@node@distance,
inner sep=0pt,
outer sep=0pt]
\mCh@dummy
}
\newenvironment{rxnscheme}{\mCh@rxnscheme}{%
\endtikzpicture
\caption{\mCh@rs@caption}%
\mCh@ifempty@variable\rs@currentlabel{}
{\label{\mCh@rs@currentlabel}}%
\endrxnfloat
\mCh@scheme@disable
}
% ----------------------------------------------------------------------------
% einfache Reaktion
% \begin{rxn}[<align>,<scalefactor>]
\mCh@new@variable\reaction@scale
\mCh@new@variable\reaction@align
\mCh@set@variable\reaction@scale{1.0}
\mCh@set@variable\reaction@align{center}
\newrobustcmd\setrxnalign[1]{%
\ifblank{#1}
{\mCh@set@variable\reaction@align{center}}
{\mCh@set@variable\reaction@align{#1}}}
\mCh@new@variable\reaction@right
\mCh@new@variable\reaction@center
\mCh@new@variable\reaction@left
\mCh@set@variable\reaction@right{right}
\mCh@set@variable\reaction@center{center}
\mCh@set@variable\reaction@left{left}
\newrobustcmd\mCh@rxn[1][]{%
\ifblank{#1}
{\mCh@rxn@i}{\mCh@rxn@ii[#1]}}
\mCh@def\mCh@rxn@ii[#1]{%
\let\mCh@remainargs\@empty
\mCh@splitarg{#1}%
\mCh@ifempty@variable\firstarg
{\mCh@let@variable\reaction@align\reaction@center}
{\mCh@let@variable\reaction@align\firstarg}%
\mCh@ifempty@variable\secondarg
{\mCh@set@variable\reaction@scale{1}}
{\mCh@let@variable\reaction@scale\secondarg}%
\mCh@rxn@i
}
\mCh@def\mCh@rxn@i{%
\mCh@scheme@enable
\hspace*{0pt}%
\mCh@ifeq@variable\reaction@align\reaction@center{\center}{}%
\mCh@ifeq@variable\reaction@align\reaction@left{\flushleft}{}%
\mCh@ifeq@variable\reaction@align\reaction@right{\flushright}{}%
\mCh@bondlength\mCh@bondshape\mCh@atomsize
\begin{tikzpicture}[
every picture/.style={scale=\mCh@reaction@scale},
start chain,
node distance=\mCh@rxn@node@distance,
inner sep=0pt,
outer sep=0pt]
\mCh@dummy
}
\newenvironment{rxn}{\mCh@rxn}{%
\end{tikzpicture}%
\mCh@ifeq@variable\reaction@align\reaction@center{\endcenter}{}%
\mCh@ifeq@variable\reaction@align\reaction@left{\endflushleft}{}%
\mCh@ifeq@variable\reaction@align\reaction@right{\endflushright}{}%
\mCh@scheme@disable
}
% --------------------------------------------------------------------------
% REAKTANDEN
% Standardreaktand
% \reactant[<pos>,<name>,<tikz>]{<something>}
\def\mCh@argument@safe{\@makeother\#}
\newrobustcmd\mCh@reactant[1][]{%
\begingroup
\mCh@argument@safe
\ifblank{#1}
{\mCh@reactant@i}
{\mCh@reactant@ii[#1]}%
}
\mCh@def\mCh@reactant@i#1{%
\expandafter\node\expandafter[%
\mCh@reactant@visible,
on chain=going {at=(\tikzchainprevious.0)},
anchor=180,
shift=(0:\mCh@rxn@node@distance)]{#1};
\endgroup
}
\mCh@def\mCh@reactant@ii[#1]#2{%
\let\mCh@remainargs\@empty\mCh@splitarg{#1}%
\mCh@ifempty@variable\firstarg{% erste Option: <pos>, zweite Option: <name>, dritte Option: <tikz>
\mCh@set@variable\angle{0}%
\mCh@set@variable\anchor{180}%
\mCh@empty@variable\referred@node
}{%
\expandafter\mCh@analyze@angle\expandafter{\mCh@firstarg}%
\mCh@set@variable\anchor{180+\mCh@angle}%
}%
\mCh@ifempty@variable\referred@node
{\mCh@set@variable\referred@node{\tikzchainprevious}}{}%
\expandafter\expandafter\expandafter\node\expandafter\expandafter\expandafter[%
\expandafter\mCh@thirdarg\expandafter,%
\mCh@reactant@visible,
on chain=going {at=(\mCh@referred@node.\mCh@angle)},
anchor=\mCh@anchor,shift=(\mCh@angle:\mCh@rxn@node@distance)]
(\mCh@secondarg){#2};
\endgroup
}
% Mesomerie
% \mesomeric[<pos>,<name>,<tikz>]{<something>}
\newrobustcmd\mCh@mesomeric[1][]{%
\begingroup
\mCh@argument@safe
\ifblank{#1}
{\mCh@mesomeric@i}
{\mCh@mesomeric@ii[#1]}%
}
\mCh@def\mCh@mesomeric@i#1{%
\node[on chain=going {at=(\tikzchainprevious.0),
shift=($(0:\mCh@rxn@node@distance)$)},
anchor=180,shift=(0:\mCh@rxn@node@distance),
inner sep=1pt,
left delimiter={[},
right delimiter={]}]
{\tikzpicture[start branch]#1\endtikzpicture};
\endgroup
}
\mCh@def\mCh@mesomeric@ii[#1]#2{%
\let\mCh@remainargs\@empty
\mCh@splitarg{#1}%
\mCh@ifempty@variable\firstarg{% erste Option: <pos>, zweite Option: <name>, dritte Option: <tikz>
\mCh@set@variable\angle{0}%
\mCh@set@variable\anchor{180}%
\mCh@empty@variable\referred@node
}{%
\expandafter\mCh@analyze@angle\expandafter{\mCh@firstarg}%
\mCh@set@variable\anchor{180+\mCh@angle}%
}%
\mCh@ifempty@variable\referred@node
{\mCh@set@variable\referred@node{\tikzchainprevious}}{}%
\expandafter\node\expandafter[\mCh@thirdarg,
on chain=going {at=(\mCh@referred@node.\mCh@angle)},
anchor=\mCh@anchor,
shift=(\mCh@angle:\mCh@rxn@node@distance),
inner sep=1pt,
left delimiter={[},
right delimiter={]}]
(\mCh@secondarg){\tikzpicture[start branch]#2\endtikzpicture};
\endgroup
}
% Mesomerie-Pfeil
% \marrow[<pos>]
\newrobustcmd\marrow[1][]{\arrow[#1,<->,.5]{}{}}
% Anywhere
% \anywhere{<pos>,<name>,<tikz>}{<something>}
\mCh@new@variable\anywhere@positioning
\newrobustcmd\mCh@anywhere[1]{%
\begingroup
\mCh@argument@safe
\let\mCh@remainargs\@empty
\mCh@splitarg{#1}% erste Option: <pos>, zweite Option: <name>, dritte Option: <tikz>
\mCh@ifempty@variable\firstarg{%
\mCh@error{\string\anywhere: positioning missing}{}%
}{%
\expandafter\mCh@if@instr\expandafter{\mCh@firstarg}{=}{%
\mCh@xset@variable\anywhere@positioning{\mCh@firstarg}%
}{%
\expandafter\mCh@analyze@angle\expandafter{\mCh@firstarg}%
\mCh@set@variable\anchor{180+\mCh@angle}%
\mCh@ifempty@variable\referred@node{%
\mCh@error{You can't use `angle' to position \string\anywhere.
You need to use `name.angle'}%
}{%
\mCh@set@variable\anywhere@positioning{%
at=(\mCh@referred@node.\mCh@angle),anchor=\mCh@anchor}%
}%
}%
}%
\mCh@anywhere@i
}
\mCh@def\mCh@anywhere@i#1{%
\expandafter\expandafter\expandafter\node\expandafter\expandafter\expandafter[%
\expandafter\mCh@thirdarg\expandafter,%
\mCh@anywhere@positioning](\mCh@secondarg){#1};
\endgroup
}
% Dummy
% \dummy[<name>]
\newrobustcmd\mCh@dummy[1][]{%
\ifblank{#1}
{\draw node[on chain,xshift=-\mCh@rxn@node@distance]{};}
{\draw node[on chain,xshift=-\mCh@rxn@node@distance](#1){};}}
% Uebergangszustand
% \transition[<pos>,<name>,<tikz>]{<something>}
\mCh@new@variable\transition@name
\newrobustcmd\mCh@transition[1][]{%
\begingroup
\mCh@argument@safe
\ifblank{#1}
{\mCh@transition@i}
{\mCh@transition@ii[#1]}%
}
\mCh@def\mCh@transition@i#1{%
\expandafter\node\expandafter[\mCh@reactant@visible,
on chain=going {at=(\tikzchainprevious.0)},
anchor=180,
shift=(0:\mCh@rxn@node@distance),
anchor=180,
inner sep=3pt,
left delimiter={[},
right delimiter={]}]
(mCh@transition@name){#1};
\node at ($(mCh@transition@name.north east)+(.7em,0)$)
{$\transitionstatesymbol$};
\endgroup
}
\mCh@def\mCh@transition@ii[#1]#2{%
\let\mCh@remainargs\@empty
\mCh@splitarg{#1}%
\mCh@ifempty@variable\firstarg{% erste Option: <pos>
\mCh@set@variable\angle{0}%
\mCh@set@variable\anchor{180}%
\mCh@empty@variable\referred@node
}{%
\expandafter\mCh@analyze@angle\expandafter{\mCh@firstarg}%
\mCh@set@variable\anchor{180+\mCh@angle}%
}%
\mCh@ifempty@variable\secondarg% zweite Option: <name>, dritte Option: <tikz>
{\mCh@set@variable\transition@name{mCh@transition@name}}
{\mCh@let@variable\transition@name\secondarg}%
\mCh@ifempty@variable\referred@node
{\mCh@set@variable\referred@node{\tikzchainprevious}}{}%
\expandafter\expandafter\expandafter\node\expandafter\expandafter\expandafter[%
\mCh@reactant@visible\expandafter,%
\mCh@thirdarg,
on chain=going {at=(\mCh@referred@node.\mCh@angle)},
anchor=\mCh@anchor,
shift=(\mCh@angle:\mCh@rxn@node@distance),
inner sep=3pt,
left delimiter={[},
right delimiter={]}]
(\mCh@transition@name){#2};
\node at ($(\mCh@transition@name.north east)+(.7em,0)$)
{$\transitionstatesymbol$};
\endgroup
}
% Abzweigung
% \branch[<pos>,<name>,<tikz>]{<formulae>}
% <pos>: default: on chain=going "right" (0°)
% on chain=going <somewhere>
% <somewhere>=of <name>
% <angle> (sitzt auf der Kette)
% <name>.<angle> (sitzt nicht auf der Kette)
\mCh@new@variable\branch@positioning
\newrobustcmd\mCh@branch[1][]{%
\begingroup
\mCh@argument@safe
\ifblank{#1}
{\mCh@branch@i}
{\mCh@branch@ii[#1]}%
}
\mCh@def\mCh@branch@i{%
\expandafter\mCh@set@variable\expandafter\branch@positioning\expandafter{\mCh@branch@visible,
on chain=going {at=(\tikzchainprevious.0)},
anchor=180,
shift=(0:\mCh@rxn@node@distance)}%
\mCh@empty@variable\secondarg
\mCh@empty@variable\thirdarg
\mCh@branch@iii}
\mCh@def\mCh@branch@ii[#1]{%
\let\mCh@remainargs\@empty
\mCh@splitarg{#1}% erste Option: <pos>, zweite Option: <name>, dritte Option: <tikz>
\mCh@ifempty@variable\firstarg{%
\expandafter\mCh@set@variable\expandafter\branch@positioning\expandafter{\mCh@branch@visible,
on chain=going {at=(\tikzchainprevious.0)},
anchor=180,
shift=(0:\mCh@rxn@node@distance)}%
}{%
\expandafter\mCh@if@instr\expandafter{\mCh@firstarg}{=}{%
\mCh@xset@variable\branch@positioning{\mCh@branch@visible,\mCh@firstarg}%
}{%
\expandafter\mCh@analyze@angle\expandafter{\mCh@firstarg}%
\mCh@set@variable\anchor{180+\mCh@angle}%
\mCh@ifempty@variable\referred@node{%
\expandafter\mCh@set@variable\expandafter\branch@positioning\expandafter{\mCh@branch@visible,
on chain=going {at=(\tikzchainprevious.\mCh@angle)},
anchor=\mCh@anchor,
shift=(\mCh@angle:\mCh@rxn@node@distance)}%
}{%
\expandafter\mCh@set@variable\expandafter\branch@positioning\expandafter{\mCh@branch@visible,
at=(\mCh@referred@node.\mCh@angle),
anchor=\mCh@anchor,
shift=(\mCh@angle:\mCh@rxn@node@distance)}%
}%
}%
}%
\mCh@branch@iii}
\mCh@def\mCh@branch@iii#1{%
\expandafter\expandafter\expandafter\node\expandafter\expandafter\expandafter[%
\expandafter\mCh@branch@positioning\expandafter,%
\mCh@thirdarg]
(\mCh@secondarg){\tikzpicture[start branch]#1\endtikzpicture};
\endgroup
}%
% --------------------------------------------------------------------------
% Sonstiges
% Elektronenverschiebungspfeile
\mCh@new@variable\elmove@default@tikz
\mCh@new@variable\elmove@tikz
\tikzset{mCh@elmove/.style={->,red,shorten <=3pt,shorten >=1pt}}
\mCh@set@variable\elmove@default@tikz{mCh@elmove}
\mCh@let@variable\elmove@tikz\elmove@default@tikz
\newrobustcmd\elmove[5][]{%
\chemmove{
\expandafter\draw\expandafter[\mCh@elmove@tikz,#1]
(#2).. controls +(#3) and +(#5)..(#4);
}}
\newrobustcmd\setelmove[1]{%
\ifblank{#1}
{\mCh@let@variable\elmove@tikz\elmove@default@tikz}
{\mCh@set@variable\elmove@tikz{#1}}}
% Plus
\newrobustcmd\mCh@chemand[1][]{%
\ifblank{#1}
{\reactant{\chemsign[0pt]{+}}}
{\reactant[#1]{\chemsign[0pt]{+}}}}
% --------------------------------------------------------------------------
% Setup myChemistry
% Bindungslänge
\mCh@new@variable\bondlength@default
\mCh@new@variable\bondlength
\mCh@set@variable\bondlength@default{1.8em}
\mCh@set@variable\bondlength{\setatomsep{\mCh@bondlength@default}}
\newrobustcmd\setbondlength[1]{%
\ifblank{#1}
{\mCh@set@variable\bondlength{\setatomsep{\mCh@bondlength@default}}}
{\mCh@set@variable\bondlength{\setatomsep{#1}}}}
% Keilbindungen
\mCh@new@variable\bondshape@one
\mCh@new@variable\bondshape@two
\mCh@new@variable\bondshape@three
\mCh@set@variable\bondshape@one{3pt}
\mCh@set@variable\bondshape@two{.5pt}
\mCh@set@variable\bondshape@three{1pt}
\newrobustcmd\setbondshape[3]{%
\ifblank{#1}
{\mCh@set@variable\bondshape@one{3pt}}
{\mCh@set@variable\bondshape@one{#1}}%
\ifblank{#2}
{\mCh@set@variable\bondshape@two{.5pt}}
{\mCh@set@variable\bondshape@two{#2}}%
\ifblank{#3}
{\mCh@set@variable\bondshape@three{1pt}}
{\mCh@set@variable\bondshape@three{#3}}%
}
\mCh@new@variable\bondshape
\mCh@set@variable\bondshape{%
\setcrambond{\mCh@bondshape@one}{\mCh@bondshape@two}{\mCh@bondshape@three}}
% Atomgröße
\mCh@new@variable\atomsize@default
\mCh@new@variable\atomsize
\mCh@set@variable\atomsize@default{\small}
\mCh@let@variable\atomsize\atomsize@default
\newrobustcmd\setatomsize[1]{%
\ifblank{#1}
{\mCh@let@variable\atomsize\atomsize@default}
{\mCh@set@variable\atomsize{#1}}}
% allg. Setup
\newrobustcmd\mCsetup[1]{\setkeys{mCh@setup}{#1}}
\define@key{mCh@setup}{arrowlabel}[\mCh@arrow@label@dist@def]{%
\setarrowlabel{#1}}
\define@key{mCh@setup}{arrowlength}[\mCh@arrow@length@def]{%
\setarrowlength{#1}}
\define@key{mCh@setup}{arrowline}[\mCh@arrow@linethickness@default]{%
\setarrowline{#1}}
\define@key{mCh@setup}{atomsize}[\mCh@atomsize@default]{%
\setatomsize{#1}}
\define@key{mCh@setup}{bondlength}[\mCh@bondlength@default]{%
\setbondlength{#1}}
\define@key{mCh@setup}{rcndist}[\mCh@rxn@node@distance@default]{%
\setrcndist{#1}}
\define@key{mCh@setup}{rxnalign}[center]{%
\setrxnalign{#1}}
\define@key{mCh@setup}{schemealign}[center]{%
\setschemealign{#1}}
\define@key{mCh@setup}{align}[center]{%
\setrxnalign{#1}
\setschemealign{#1}}
\define@key{mCh@setup}{mergelength}[\mCh@merge@length@default]{%
\setmergelength{#1}}
\define@key{mCh@setup}{elmove}[\mCh@elmove@default@tikz]{%
\setelmove{#1}}
\define@key{mCh@setup}{reset}[]{%
\setarrowlabel{}%
\setarrowlength{}%
\setarrowline{}%
\setmergelength{}%
\setatomsize{}%
\setbondlength{}%
\setbondshape{}{}{}%
\setrcndist{}%
\setrxnalign{}%
\setschemealign{}%
\setelmove{}%
}
% --------------------------------------------------------------------------
% NODES SICHTBAR/UNSICHTBAR MACHEN
\mCh@new@variable\reactant@visible
\mCh@new@variable\arrow@uplabel@visible
\mCh@new@variable\arrow@downlabel@visible
\mCh@new@variable\branch@visible
\mCh@empty@variable\reactant@visible
\mCh@empty@variable\arrow@uplabel@visible
\mCh@empty@variable\arrow@downlabel@visible
\mCh@empty@variable\branch@visible
\newrobustcmd\makevisible{%
\ifmCh@draft
\mCh@set@variable\reactant@visible{draw=red!60,solid}%
\mCh@set@variable\arrow@uplabel@visible{draw=green!60,solid}%
\mCh@set@variable\arrow@downlabel@visible{draw=blue!60,solid}%
\mCh@set@variable\branch@visible{draw=cyan,solid}%
\fi
}
\newrobustcmd\makeinvisible{%
\mCh@empty@variable\reactant@visible
\mCh@empty@variable\arrow@uplabel@visible
\mCh@empty@variable\arrow@downlabel@visible
\mCh@empty@variable\branch@visible
}
\endinput
% ----------------------------------------------------------------------------
HISTORY:
2011/02/24 version 1.0 - first release to CTAN
2011/03/01 version 1.1 - package option `english' added
- package key `placement' added
- rxnscheme key `placement' added
- package key `shade=boolean' changed into package
option `shade'
- package option `nochemexec' added, will prevent mC
from loading chemexec
2011/03/20 version 1.2 - license changed into LPPL 1.3 or later
- package option `nocompounds' added, will prevent mC
from loading chemcompounds
- package option `chemstyle' added, will load chemstyle
- package option `nomhchem' added, will prevent mC from
loading mhchem if chemexec isn't loaded either
- package option `nopackages' added, will prevent mC
from loading any chemistry package except chemfig
- some small issues resolved
- bug in arrow type <=> resolved
- arrow argument placement rewritten; two new keys for
arrow: `aboveshift' and `belowshift' (causing new
problems with alignment, though)
- wrong arrow alignment (due to last change) mainly
resolved (NEEDS pgf v2.10!)
=> solved wrong branch alignment as well
- `inner sep' set to 0, arrow, transition & mesomeric
adjusted
- bug in arrow type -|> resolved
- commands \makevisible / \makeinvisible added
- arrow key `both' added
- rxn has now keys instead of an option
- commands \setrcndist, \setrxnalign, \setschemealign
added
- rxn-, rxnscheme-key align added
2011/03/26 version 1.2.1 - rewritten commands, so they accept second argument
without first:
\reactand, \mesomeric, \transition, \branch,
\makevisible, \makeinvisible
2011/03/28 version 1.2.2 - bugfix with transition
- atomsize, arrowlength, bondlength and bondshape
renamed into set<name> and code slightly rewritten
- \mCsetup added
2011/04/01 version 1.2.3 - bug in \branch resolved
- \chemand added
2011/04/02 version 1.2.4 - bugs in \makevisible, \makeinvisible resolved
- input bondwidth.tex if ChemFig v0.4
2011/04/04 version 1.3 - commands \reactand, \mesomeric, \branch, \transition,
\chemand (\makeinvisible, \makeinvisible) rewritten:
more flexible with opt. arguments
2011/04/15 version 1.4 - minor bugfixes
- \merge-command rewritten: it now accepts an arrow
label and the length is adjustable
- \dummy mostly obsolete
- bugfix with aligning rxn & rxnscheme
- synonym to \reactand=\reactant added
- rxn & rxnscheme rewritten
- commands \reactant, \mesomeric, \branch & \transition
modified: argument is set with \mCh@argument@safe{#1},
so the chemfig catcode regime is working properly
before () (else possible problem with triple bond ~)
- syntax of \arrow changed so it fits to the syntax of
all the other commands
- command \anywhere added
- own arrow tips defined
- command \setarrowline added
- new arrow type -+> added
2011/04/23 version 1.5 - major parts of the code rewritten -- the whole
positioning part now is different and way more flexible:
arbitrary angles can be used for positioning, referencing
an object is easier, arrows can be modified using <tikz>,
command \anywhere now has similar syntax
- arrow types <=>> and <<=> added
- arrow type -+> modified: more flexible
- bugfixes in error-handling
2011/04/27 version 1.5.1 - removed bondwidth.tex
- \arrow, \reactant, \mesomeric, \transition, \anywhere,
\dummy, \branch, and \chemand only defined inside scheme
environments
2012/07/27 version 1.99 - conflict with `pdfpages' resolved, LaTeXified various
parts in order to minimize conflicts with other
packages; \merge is also only defined inside the scheme
environments
2012/09/20 version 1.99a - small adjustments to \elmove
2012/12/19 version 1.99b - changed catcode regime (# is read with catcode 12)
so that chemfig's bond offset works
% ----------------------------------------------------------------------------