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+%D \module
+%D [ file=ppchtex (m-chemie),
+%D version=1997.03.19,
+%D title=\CONTEXT\ Extra Modules,
+%D subtitle=\PPCHTEX\ (Plain Pictex Context cHemie \TEX),
+%D author=Hans Hagen,
+%D date=\currentdate,
+%D suggestions={Tobias Burnus, Dirk Kuypers \& Ton Otten}.
+%D copyright={PRAGMA ADE \& \CONTEXT\ Development Team}]
+%C
+%C This module is part of the \CONTEXT\ macro||package and is
+%C therefore copyrighted by \PRAGMA. See mreadme.pdf for
+%C details.
+
+% option=test => boxes
+% dummy => file
+% final => file / local run
+%
+% constante van phantom in definitie ONE: \setchemicaltextwidth 300
+%
+% it would be interesting to rewrite this module with todays
+% experiences and new context functionality, maybe ...
+
+% Deze module ondersteunt het zetten van chemische
+% (structuur)formules. Hoewel de macro' zijn afgestemd op
+% CONTEXT, zijn ze ook buiten deze zetomgeving te gebruiken.
+%
+% Dit is, afgezien van updates, de definitieve versie van
+% PPCHTEX. Gebruikersgemak, eenvoud, flexibiliteit, en
+% snelheid zijn inmiddels redelijk geoptimaliseerd. Dit neemt
+% niet weg dat hier en daar nog verbetering mogelijk is. Dit
+% zal dan ook nog gebeuren.
+%
+% Volgende versies zullen tenminste dezelfde functionaliteit
+% hebben. We houden ons natuurlijk het recht voor de kwaliteit
+% van de output te verbeteren. Daarnaast staan nog op het
+% wensenlijstje:
+%
+% - optimaliseren in termen van proces-tijd
+% - aanpassen naamgeving van interne macro's
+% - toevoegen van functionaliteit
+% - in \x!-vorm omzetten van GIVES, TB enz.
+%
+% De mix tussen engels en nederlands lijkt soms verwarrend.
+% Meestal zijn verborgen macro's engels en zichtbare macro's
+% nederlands. Het gebruik van [ ] en { } sluit aan op andere
+% Context-macro's. Hetzelfde geldt voor instellingen en
+% \start-\stop-constructies.
+%
+% De schijnbaar overbodige \bgroup-\egroup constructie
+% garandeert aansluiting bij de Context-macro's voor het
+% plaatsen van figuren, tabellen en andere floats.
+%
+% Binnen Context worden de macro's geladen met
+% \gebruikextras[chemie]. Daarbij wordt een passende melding
+% getoont. Buiten Context genereren we een melding:
+
+\doifundefined{usemodule}
+ {\writestatus{loading}{ConTeXt Chemical Macro's / 1996.3.1}}
+
+% Er kan gebruik worden gemaakt van PiCTeX of PStricks. Een
+% van deze pakketten moet van te voren zijn geladen.
+%
+% \input prepictex.tex (i.g.v. LaTeX)
+% \input pictex.tex
+% \input postpictex.tex (i.g.v. LaTeX)
+%
+% of:
+%
+% \input multido.tex
+% \input pstricks.tex
+% \input pst-plot.tex
+%
+% In \CONTEXT\ kan men de modules m-pictex en m-pstricks
+% gebruiken. De eerste module laad of efficiente wijze PiCTeX
+% en de tweede module koppelt het PSTRICKS kleurmechanisme
+% aan dat van \CONTEXT.
+%
+
+% PSTricks: {-\chemicalangle} instead of {*0}, which produces
+% faulty ps code when \chemicalangle=0
+
+\startcommands dutch english german
+
+ gotochemical: naarchemie gotochemical zurchemie
+ setupchemical: stelchemiein setupchemical stellechemieein
+ startchemical: startchemie startchemical startchemie
+ stopchemical: stopchemie stopchemical stopchemie
+ definechemical: definieerchemie definechemical definierechemie
+ chemical: chemie chemical chemie
+ toptext: boventekst toptext textueber
+ bottext: ondertekst bottext textunter
+ midtext: middentekst midtext textmitte
+
+\stopcommands
+
+\doifundefined{fiverm} % In the more recent LaTeX versions
+ {\font\fiverm=cmr5 } % \fiverm is no longer (pre)defined.
+
+\doifdefinedelse{beginpicture} % PiCTeX
+ {\doifdefinedelse{startMPdrawing}
+ {\chardef\chemicaldrawingmode=2 } % MetaPost
+ {\chardef\chemicaldrawingmode=0 }} % raw
+ {\doifdefinedelse{psaxes}
+ {\chardef\chemicaldrawingmode=1 } % PSTricks
+ {\chardef\chemicaldrawingmode=3 }} % unknown
+
+\ifcase\chemicaldrawingmode
+ \writestatus{ppchtex}{using PiCTeX}
+\or
+ \writestatus{ppchtex}{using PSTricks (still experimental)}
+ \writestatus{ppchtex}{automatic sizing not (yet) supported}
+\or
+ \writestatus{ppchtex}{using PiCTeX and MetaPost}
+\else
+ \writestatus{ppchtex}{load PiCTeX (+pre/post) or PSTricks (+pst_plot) first}
+ \bgroup
+ \read16 to \exit
+ \egroup
+ \expandafter\endinput
+\fi
+
+% De onderstaande help-informatie (%I) kan worden opgeroepen
+% in TeXEdit. De daaropvolgende setup-informatie (%S) kan
+% nadat zij is uit deze file is gefilterd met TeXUtil, in
+% handleidingen worden gebruikt. In deze file opgenomen
+% documentatie (%D en %M) kan worden gebruikt voor een
+% technische handleiding. Met %T kunnen templates worden
+% gedefinieerd voor TeXEdit.
+
+%I n=Chemie
+%I c=\stelchemiein,\chemie
+%I
+%I Chemische formules kunnen worden gezet met behulp van de
+%I onderstaande commando's:
+%I
+%I buiten $ en $$ :
+%I
+%I \chemie[segmenten][symbolen]
+%I
+%I \startchemie[instellingen]
+%I \chemie...
+%I \chemie...
+%I \stopchemie
+%I
+%I en binnen $ en $$:
+%I
+%I \chemie{}{}
+%I
+%I Voor tekst, uitleg en voorbeelde verwijzen we vooralsnog
+%I naar de handleiding.
+%P
+%I Het gedrag van de macro's kan worden ingesteld met:
+%I
+%I \stelchemiein[breedte=,hoogte=,links=,rechts=,boven=,
+%I onder=,korps=,schaal=,status=,assenstelsel=,kader=,
+%I variant=,optie=,formaat=,tekstformaat=,resolutie=,
+%I offset=,letter=]
+%I
+%I Structuren kunnen worden voorgedefinieerd met het commando
+%I
+%I \definieerchemie[naam]{\chemie...}
+
+%S \startsetup
+%S \command
+%S [\!stelchemiein]
+%S \type
+%S [\c!vars!]
+%S \variable
+%S [\c!breedte]
+%S [\c!number!,\v!passend]
+%S [0]
+%S \variable
+%S [\c!hoogte]
+%S [\c!number!,\v!passend]
+%S [0]
+%S \variable
+%S [\c!links]
+%S [\c!number!]
+%S [0]
+%S \variable
+%S [\c!rechts]
+%S [\c!number!]
+%S [0]
+%S \variable
+%S [\c!boven]
+%S [\c!number!]
+%S [0]
+%S \variable
+%S [\c!onder]
+%S [\c!number!]
+%S [0]
+%S \variable
+%S [\c!resolutie]
+%S [\c!number!]
+%S [\outputresolution]
+%S \variable
+%S [\c!korps]
+%S [10pt,11pt,12pt]
+%S [\bodyfontsize]
+%S \variable
+%S [\c!schaal]
+%S [\v!klein,\v!middel,\v!groot]
+%S [\v!middel]
+%S \variable
+%S [\c!formaat]
+%S [\v!klein,\v!middel,\v!groot]
+%S [\v!groot]
+%S \variable
+%S [\c!tekstformaat]
+%S [\v!klein,\v!middel,\v!groot]
+%S [\v!groot]
+%S \variable
+%S [\c!status]
+%S [\v!start,\v!stop]
+%S [\v!start]
+%S \variable
+%S [\c!kader]
+%S [\v!aan,\v!uit]
+%S [\v!uit]
+%S \variable
+%S [\c!assenstelsel]
+%S [\v!aan,\v!uit]
+%S [\v!uit]
+%S \variable
+%S [\c!optie]
+%S [\v!test]
+%S []
+%S \variable
+%S [\c!variant]
+%S [1,2]
+%S [1]
+%S \variable
+%S [\c!offset]
+%S [HIGH,LOW]
+%S [LOW]
+%S \variable
+%S [\c!letter]
+%S [\c!command!]
+%S [\rm]
+%S \stopsetup
+
+%S \startsetup
+%S \command
+%S [\v!startchemie]
+%S \type
+%S [\c!vars!\c!stp!]
+%S \inheritvariable
+%S [\v!stelchemiein]
+%S []
+%S \stopsetup
+
+%S \startsetup
+%S \command
+%S [\v!chemie]
+%S \type
+%S [\c!vals!\c!vals!]
+%S \value
+%S [\c!list!]
+%S []
+%S \value
+%S [\c!list!]
+%S []
+%S \stopsetup
+
+%S \startsetup
+%S \command
+%S [definieerchemie]
+%S \type
+%S [\c!val!\c!arg!]
+%S \value
+%S [\c!text!]
+%S []
+%S \stopsetup
+
+\unprotect
+
+% Om te voorkomen dat sub- en superscripts botsen passen we
+% wat fontdimen's aan (Knuth, The TeXBook, p179). Helaas
+% kunnen deze instellingen niet lokaal worden gehouden door
+% groeperen, vandaar dat een en ander moet worden geset ‚n
+% gereset.
+%
+% Er dient een relatie te worden gelegd met de afmetingen
+% van de letters. In een eerdere versie werden daartoe de
+% \fontdimen's opgehoogd. Omdat dit problemen gaf bij
+% scaled fonts, is bij nader inzien gekozen voor de
+% onderstaande oplossing, waarbij de nieuwe waarden worden
+% afgeleid van de x-height (\fontexheight). De factor 0.70
+% is min of meer experimenteel vastgesteld. Soms worden de
+% regels iets verder uit elkaar gezet. Jammer. Italic fonts
+% hebben grotere cijfers en vallen min of meer uit de boot.
+
+\newif\ifloweredsubscripts
+
+% Due to some upward incompatibality of LaTeX to LaTeX2.09
+% and/or LaTeX2e we had to force \@@dochemicalstyle. Otherwise
+% some weird \nullfont error comes up.
+
+\def\beginlatexmathmodehack
+ {\ifmmode
+ \let\endlatexmathmodehack=\relax
+ \else
+ \def\endlatexmathmodehack{$}$\@@dochemicalstyle\empty
+ \fi}
+
+\def\setsubscripts%
+ {\beginlatexmathmodehack
+ \def\dosetsubscript##1##2##3%
+ {\dimen0=##3\fontexheight##2%
+ \setxvalue{@@\string##1\string##2}{\the##1##2\relax}%
+ ##1##2=\dimen0\relax}%
+ \def\dodosetsubscript##1##2%
+ {\dosetsubscript{##1}{\textfont 2}{##2}%
+ \dosetsubscript{##1}{\scriptfont 2}{##2}%
+ \dosetsubscript{##1}{\scriptscriptfont2}{##2}}%
+ %dodosetsubscript\mathsupnormal {?}%
+ \dodosetsubscript\mathsubnormal {.7}%
+ \dodosetsubscript\mathsubcombined{.7}%
+ \global\loweredsubscriptstrue
+ \endlatexmathmodehack}
+
+\def\resetsubscripts
+ {\ifloweredsubscripts
+ \beginlatexmathmodehack
+ \def\doresetsubscript##1##2%
+ {\dimen0=\getvalue{@@\string##1\string##2}\relax
+ ##1##2=\dimen0}%
+ \def\dodoresetsubscript##1%
+ {\doresetsubscript{##1}{\textfont2}%
+ \doresetsubscript{##1}{\scriptfont2}%
+ \doresetsubscript{##1}{\scriptscriptfont2}}%
+ %dodoresetsubscript\mathsupnormal
+ \dodoresetsubscript\mathsubnormal
+ \dodoresetsubscript\mathsubcombined
+ \global\loweredsubscriptsfalse
+ \endlatexmathmodehack
+ \fi}
+
+\ifx\Umathchar\undefined \else
+ % for the moment we nil them, soon we will have a proper
+ % way to deal with this
+ \let\setsubscripts \relax
+ \let\resetsubscripts\relax
+\fi
+
+\def\doresetsubscripts
+ {\resetsubscripts}
+
+\def\sethighsubscripts
+ {\resetsubscripts
+ \let\dosetsubscripts=\relax}
+
+\def\setlowsubscripts
+ {\def\dosetsubscripts{\setsubscripts}}
+
+\setlowsubscripts
+
+\newcount\horchemical % t.z.t. \newcounter
+\newcount\verchemical % t.z.t. \newcounter
+\newcount\txtchemical % t.z.t. \newcounter
+\newcount\levchemical % t.z.t. \newcounter
+
+\newif\ifinchemical \inchemicalfalse
+\newif\iffixedchemical \fixedchemicalfalse
+
+\newbox\chemicalsymbols
+
+% Eigenlijk moeten de constanten en variabelen in cont-nl.tex
+% staan. Dit pakket is echter relatief onafhankelijk van CONTEXT.
+
+\definesystemvariable {chemical}
+
+\definesystemconstant {chemical}
+
+\definesystemconstant {translate}
+\definesystemconstant {distance}
+\definesystemconstant {mirror}
+\definesystemconstant {rotate}
+\definesystemconstant {substitute}
+\definesystemconstant {angle}
+
+\definesystemconstant {executechemical}
+\definesystemconstant {chemicaltextelement}
+\definesystemconstant {chemicallinesegment}
+\definesystemconstant {chemicalcircsegment}
+
+\def\chemicalspace {\quad}
+
+% begin van experiment:
+%
+% De onderstaande twee macro's kunnen worden gebruikt voor
+% bijvoorbeeld een interactiemechanisme.
+%
+% \localgotochemical {verwijzing} {tekst}
+% \localthisischemical {verwijzing}
+
+\def\dowithchemical%
+ {}
+
+\doifdefinedelse{@@iastate}
+ {\def\localgotochemical#1#2{\naarbox{#2}[#1]}%
+ \def\localthisischemical#1{\pagereference[#1]}}
+ {\def\localgotochemical#1{}%
+ \def\localthisischemical#1{}}
+
+% eind van experiment
+
+\def\setchemicalmaximum #1
+ {\def\maxchemical{#1}}
+
+\def\doifchemicalnumber#1#2#3%
+ {\doifnumberelse{#1}
+ {\ifnum#1>\maxchemical\relax
+ \writestatus{ppchtex}{number #1 is skipped}%
+ \else
+ #3%
+ \fi}
+ {\unknownchemical{#2}}}%
+
+\newif\ifsmallchemicaltext
+
+\let\@@localchemicalstyle\empty
+
+\def\setupchemicalformat[#1]%
+ {\processaction
+ [\getvalue{#1\c!size}]
+ [ \v!small=>\def\@@localchemicalformat{\scriptscriptstyle},
+ \v!medium=>\def\@@localchemicalformat{\ifsmallchemicaltext\scriptscriptstyle\else\scriptstyle\fi},
+ \v!big=>\def\@@localchemicalformat{\ifsmallchemicaltext\scriptstyle\else\textstyle\fi},
+ \s!unknown=>\def\@@localchemicalformat{\getvalue{#1\c!size}}]%
+ \processaction
+ [\getvalue{#1\c!textsize}]
+ [ \v!small=>\def\@@localchemicalstyle{\scriptscriptstyle},
+ \v!medium=>\def\@@localchemicalstyle{\ifsmallchemicaltext\scriptscriptstyle\else\scriptstyle\fi},
+ \v!big=>\def\@@localchemicalstyle{\ifsmallchemicaltext\scriptstyle\else\textstyle\fi},
+ \s!unknown=>\def\@@localchemicalstyle{\getvalue{#1\c!textsize}}]%
+ \processaction
+ [\getvalue{#1\c!scale}]
+ [ \v!small=>\def\@@localchemicalscale{500},
+ \v!medium=>\def\@@localchemicalscale{625},
+ \v!big=>\def\@@localchemicalscale{750},
+ \s!unknown=>\def\@@localchemicalscale{\getvalue{#1\c!scale}}]}
+
+\def\@@currentchemicalformat
+ {\ifinchemical
+ \@@localchemicalformat
+ \else
+ \@@localchemicalstyle
+ \fi}
+
+\def\dosetupchemical[#1]%
+ {\getparameters[\??chemical\s!chemical][#1]%
+ \doifelse{\@@chemicalchemicaloffset}{LOW}
+ {\setlowsubscripts}
+ {\sethighsubscripts}%
+ \setupchemicalformat[\??chemical\s!chemical]%
+ \ignorespaces}
+
+\def\setupchemical
+ {\dosingleargument\dosetupchemical}
+
+\def\@@dochemicalstyle% % default mapping
+ {\@@chemicalstyle}
+
+\def\@@dochemicalcolor% % no mapping yet
+ {}
+
+\def\@@chemicalstyle % $inner-style$ % (overloaded)
+ {\@@chemicalchemicalstyle} % $$outer-style$$
+
+\def\@@writechemicalstate#1#2%
+ {}
+
+\def\@@beginchemicallocalpicture
+ {\ifcase\chemicaldrawingmode
+ \beginpicture
+ \or
+ \pspicture(0,0)(0,0) % is this permitted ?
+ \or
+ \pushMPdrawing
+ \startMPdrawing
+ %prologues := 1 ;
+ %input mp-tool ;
+ u := 10*\@@chemicalunit;
+ bboxmargin := 0pt ;
+ pickup pencircle scaled 2u ; % ???
+ \stopMPdrawing
+ \beginpicture
+ \fi}
+
+\def\@@endchemicallocalpicture#1#2%
+ {\ifcase\chemicaldrawingmode
+ \endpicture
+ \or
+ \endpspicture
+ \or
+ \resetchemicalcoordinates
+ \setbox2\hbox{\MPshiftdrawingtrue\MPstaticgraphictrue\getMPdrawing}%
+ \wd2=\!!zeropoint
+ \ht2=\!!zeropoint
+ \dp2=\!!zeropoint
+ \put {\box2} at 0 0
+ \endpicture
+ \popMPdrawing
+ \fi}
+
+\def\@@beginchemicalpicture#1#2#3#4%
+ {\ifnum\chemicaldrawingmode=1
+ \pspicture(#1,#3)(#2,#4)%
+ \def\account##1##2{}%
+ \psaxes[axesstyle=none,labels=none,ticks=none](#1,#3)(#2,#4)%
+ \else
+ \beginpicture
+ \setplotarea
+ x from {#1} to {#2},
+ y from {#3} to {#4}
+ \iffixedchemical
+ \accountingon
+ \def\account##1##2%
+ {\put {} at {##1} {##2} }%
+ \else
+ \accountingoff
+ \def\account##1##2{}%
+ \fi
+ \fi
+ \ignorespaces}
+
+\def\@@endchemicalpicture%
+ {\ifcase\chemicaldrawingmode
+ \put {\box\chemicalsymbols} at 0 0 % elders
+ \endpicture
+ \or
+ \rput(0,0){\box\chemicalsymbols}%
+ \endpspicture
+ \or
+ \put {\box\chemicalsymbols} at 0 0 % elders
+ \ifMPdrawingdone
+ \resetchemicalcoordinates
+ \setbox2\hbox{\MPshiftdrawingtrue\MPstaticgraphictrue\getMPdrawing}%
+ \wd2=\!!zeropoint
+ \ht2=\!!zeropoint
+ \dp2=\!!zeropoint
+ \put {\box2} at 0 0 %
+ \fi
+ \endpicture
+ \fi}
+
+\def\@@setchemicalcoordinatesystem#1%
+ {\edef\@@chemicalunit{#1}%
+ \ifcase\chemicaldrawingmode
+ \setcoordinatesystem units <\@@chemicalunit,\@@chemicalunit> %
+ \or
+ \psset{unit=\@@chemicalunit}%
+ \or
+ \setcoordinatesystem units <\@@chemicalunit,\@@chemicalunit> %
+ \startMPdrawing
+ %input mp-tool ;
+ %prologues := 1 ;
+ u := 10*#1;
+ bboxmargin := 0pt ;
+ pickup pencircle scaled 2u ; % ???
+ \stopMPdrawing
+ \fi}
+
+\ifx\MPdivten\undefined % hack to prevent overflows in mp
+ \def\MPdivten[#1]{\withoutpt\the\dimexpr#1pt/10\relax}
+\fi
+
+\def\@@setchemicalaxis#1#2#3#4%
+ {\ifcase\chemicaldrawingmode
+ \axis
+ bottom shiftedto y=0
+ ticks from {#1} to {#2} by 500 /
+ \axis
+ left shiftedto x=0
+ ticks from {#3} to {#4} by 500 / %
+ \or
+ \psaxes[labels=none,Dx=500,Dy=500](0,0)(#1,#3)(#2,#4)%
+ \or
+ \global\MPdrawingdonetrue
+ % we need to div beforehand because of mp limitations
+ \startMPdrawing
+ x1 := \MPdivten[#1]u ; x2 := \MPdivten[#2]u;
+ y1 := \MPdivten[#3]u ; y2 := \MPdivten[#4]u;
+ draw z1--(x2,y1)--z2--(x1,y2)--cycle ;
+ d := 50u ; dd := 10u ;
+ draw (x1,0)--(x2,0) ;
+ draw (0,y1)--(0,y2) ;
+ for i=d step -d until x1: draw (i,dd)--(i,-dd) ; endfor ;
+ for i=d step d until x2: draw (i,dd)--(i,-dd) ; endfor ;
+ for i=d step -d until y1: draw (-dd,i)--(dd,i) ; endfor ;
+ for i=d step d until y2: draw (-dd,i)--(dd,i) ; endfor ;
+ \stopMPdrawing
+ \fi}
+
+\def\@@setsecondchemicalplotsymbol%
+ {\ifcase\chemicaldrawingmode
+ \!!widtha=50.8mm
+ \divide\!!widtha by \@@chemicalresolution\relax
+ \plotsymbolspacing=\!!widtha
+ \setplotsymbol({\vrule\!!height\!!widtha\!!width\!!widtha})%
+ \fi}
+
+% Something for Dirk:
+
+\newcount \currentchemical
+
+%\newif \ifskipchemical
+
+\def\setchemicaldimensions#1#2#3%
+ {\bgroup
+ \global\advance\currentchemical by 1
+ \dimen0=#1\relax
+ \dimen2=#2\relax
+ \dimen4=#3\relax
+ \setxvalue{chemical::\the\currentchemical}%
+ {\noexpand\docommand{\the\dimen0}{\the\dimen2}{\the\dimen4}}%
+ \egroup}
+
+%\def\getchemicaldimensions#1#2#3%
+% {\global\advance\currentchemical by 1
+% \def\docommand##1##2##3%
+% {#1=##1\relax#2=##2\relax#3=##3\relax}%
+% \doifdefinedelse{chemical::\the\currentchemical}
+% {\getvalue{chemical::\the\currentchemical}}
+% {\docommand{6cm}{4cm}{0cm}}}
+%
+%\def\savechemicaldimensions%
+% {\bgroup
+% \writestatus{ppchtex}{saving dimensions in ppchtex.dim}%
+% \def\docommand##1##2##3%
+% {\immediate\write\scratchwrite
+% {\noexpand\setchemicaldimensions{##1}{##2}{##3}}}%
+% \immediate\openout\scratchwrite=ppchtex.dim
+% \scratchcounter=0
+% \loop
+% \ifnum\scratchcounter<\currentchemical
+% \advance\scratchcounter by 1
+% \getvalue{chemical::\the\scratchcounter}%
+% \repeat
+% \immediate\closeout\scratchwrite
+% \egroup}
+%
+%\def\loadchemicaldimensions% oh, how nice it would be to use
+% {\bgroup % one of the context read commands
+% \global\currentchemical=0
+% \immediate\openin\scratchread=./ppchtex.dim
+% \ifeof\scratchread
+% \immediate\closein\scratchread
+% \global\skipchemicalfalse
+% \else
+% \immediate\closein\scratchread
+% \input ./ppchtex.dim\relax
+% \ifnum\currentchemical>0
+% \writestatus{ppchtex}{loading dimensions from ppchtex.dim}%
+% \global\skipchemicaltrue
+% \else
+% \global\skipchemicalfalse
+% \fi
+% \global\currentchemical=0
+% \global\let\savechemicaldimensions=\relax
+% \fi
+% \egroup
+% \global\let\loadchemicaldimensions=\relax}
+
+\ifx\normalchemicalframe\undefined
+ \let\normalchemicalframe\hbox % hook for educational purposes
+\fi
+
+\unexpanded\def\complexstartchemical[#1]%
+ {\copyparameters
+ [\??chemical][\??chemical\s!chemical]
+ [\c!width,\c!height,\c!left,\c!right,\c!top,\c!bottom,
+ \c!bodyfont,\c!size,\c!scale,\c!state,\c!frame,\c!axis,\c!factor,
+ \c!location,\c!option,\c!alternative,\c!resolution,\c!offset,\c!style,
+ \c!color,\c!rulecolor,\c!rulethickness]%
+ \getparameters
+ [\??chemical]
+ [#1]%
+ %
+ \setupchemicalformat[\??chemical]%
+ %
+ \ifnum\chemicaldrawingmode=2
+ \resetMPdrawing
+ \fi
+ %
+ \doif{\@@chemicalalternative}{2}
+ {\@@setsecondchemicalplotsymbol}%
+ %
+ \doif{\@@chemicalaxis}\v!on
+ {\let\chemicalframe\hbox}%
+ %
+ \!!counta=250000
+ \divide\!!counta by \@@localchemicalscale
+ \!!widtha=\@@chemicalbodyfont
+ \divide\!!widtha by \!!counta
+ \@@setchemicalcoordinatesystem{\the\!!widtha}%
+ %
+ % \!!counta = -x \!!countc = -y
+ % \!!countb = +x \!!countd = +y
+ %
+ \def\calculateaxis##1##2##3##4##5%
+ {##1=##3\relax
+ ##2=##4\relax
+ \ifnum##5=0
+ \ifnum##3=0
+ \ifnum##4=0
+ ##1=2000
+ ##2=2000
+ \fi
+ \fi
+ \else
+ \ifnum##3=0
+ \ifnum##4=0
+ ##1=##5\relax
+ \divide##1 by 2
+ ##2=##1\relax
+ \else
+ ##1=##5\relax
+ \advance##1 by -##2\relax
+ \fi
+ \else
+ \ifnum##4=0
+ ##2=##5\relax
+ \advance##2 by -##1\relax
+ \fi
+ \fi
+ \fi}%
+ \fixedchemicalfalse
+ \doif\@@chemicalwidth\v!fit
+ {\edef\@@chemicalwidth
+ {\ifnum\chemicaldrawingmode=1 2000 \else 1 \fi}%
+ \fixedchemicaltrue}%
+ \doif\@@chemicalheight\v!fit
+ {\edef\@@chemicalheight
+ {\ifnum\chemicaldrawingmode=1 2000 \else 1 \fi}%
+ \fixedchemicaltrue}%
+ \doifelse\@@chemicallocation\v!intext
+ {\!!counta=0 \!!countb=0
+ \!!counta=0 \!!countd=0 }
+ {\calculateaxis
+ \!!counta\!!countb
+ \@@chemicalleft\@@chemicalright\@@chemicalwidth
+ \calculateaxis
+ \!!countc\!!countd
+ \@@chemicalbottom\@@chemicaltop\@@chemicalheight}%
+ %
+ \edef\@@chemheight {\the\!!countc}%
+ \edef\@@chemdepth {\the\!!countd}%
+ \edef\@@chemicaltop {\the\!!countc}%
+ \edef\@@chemicalbottom{\the\!!countd}%
+ %
+ \doifinsetelse\v!on{\@@chemicalframe,\@@chemicalaxis}
+ {\def\@@chemicalborder{\chemicalframe}}
+ {\def\@@chemicalborder{\normalchemicalframe}}%
+ %
+ \setbox0=\hbox\bgroup % this was a \vbox which took \hsize
+ %
+ \@@beginchemicalpicture
+ {-\the\!!counta}{\the\!!countb}
+ {-\the\!!countc}{\the\!!countd}%
+ \doif{\@@chemicalstate}\v!start
+ {\doif\@@chemicalaxis\v!on
+ {\@@setchemicalaxis
+ {-\the\!!counta}{\the\!!countb}
+ {-\the\!!countc}{\the\!!countd}}}%
+ \doifelse\@@chemicaloption\v!test
+ {\def\@@writechemicalstate##1##2%
+ {\convertargument##2\to\ascii
+ \writestatus{##1}{\ascii}}}
+ {\def\@@writechemicalstate##1##2{}}%
+ \ignorespaces}
+
+\def\dostartchemical%
+ {\catcode`\^=\@@superscript% t.b.v. \enableduplication
+ \catcode`\_=\@@subscript % t.b.v. de zekerheid
+ \begingroup
+ \inchemicaltrue
+ \def\toptext##1{\gdef\thetoptext{##1}\ignorespaces}\toptext{}%
+ \def\bottext##1{\gdef\thebottext{##1}\ignorespaces}\bottext{}%
+ \def\midtext##1{\gdef\themidtext{##1}\ignorespaces}\midtext{}%
+ \def\@@chemicalpostponed{}%
+ \complexorsimpleempty\startchemical}
+
+\def\startchemical
+ {\bgroup % t.b.v. ungrouped floats
+% \loadchemicaldimensions
+% \ifskipchemical
+% \def\dostartchemical%
+% {\def\dummy[####1]{}\dosingleempty\dummy}%
+% \def\chemical%
+% {\def\dummy[####1][####2][####3]{}\dotripleempty\dummy}%
+% \def\toptext##1{}%
+% \def\midtext##1{}%
+% \def\bottext##1{}%
+% \fi
+ \dostartchemical}
+
+\def\stopchemical
+ {%\ifskipchemical
+ % \getchemicaldimensions{\dimen0}{\dimen2}{\dimen4}%
+ % \dimen8=\dimen2\advance\dimen8 by \dimen4
+ % \setbox0=\vbox to \dimen8
+ % {\vss\hbox to \dimen0{\hss\the\currentchemical\hss}\vss}%
+ % \wd0=\dimen0\ht0=\dimen2\dp0=\dimen4
+ % \chemicalframe{\box0}%
+ %\else
+ \checkchemicalpicture
+ \@@endchemicalpicture
+ \egroup
+ \ifnum\chemicaldrawingmode=1
+ \dimen0=\@@chemicalunit
+ \setbox0=\hbox{\lower\@@chemdepth\dimen0\box0}%
+ \ht0=\@@chemheight\dimen0
+ \dp0=\@@chemdepth\dimen0
+ \fi
+ \dimen0=\ht0
+ \advance\dimen0 by \dp0
+ \inchemicalfalse % enables \chemie{} in text
+ \setbox4=\alignedchemical\themidtext
+ \setbox6=\alignedchemical\thetoptext
+ \setbox8=\alignedchemical\thebottext
+ \setbox4=\hbox to \wd0
+ {\strut\hss$\vcenter{\box4}$\hss}%
+ \setbox2=\vbox to \dimen0
+ {\hbox to \wd0{\strut\hss\box6\hss}
+ \vfill
+ \hbox to \wd0{\strut\hss\box8\hss}
+ \vss}% disables the depth
+ \wd0=0pt \wd4=0pt
+ \ht2=\ht0 \dp2=\dp0
+ \ht4=\ht0 \dp4=\dp0
+ %\setchemicaldimensions{\wd2}{\ht2}{\dp2}%
+ \@@chemicalborder{\box0\box4\box2}% text on top of chemicals
+ \endgroup
+ %\fi
+ \ignorespaces
+ \egroup} % t.b.v. ungrouped floats
+
+\def\alignedchemical#1%
+ {\vtop
+ {\def\par{\egroup\hbox\bgroup\strut}%
+ \let\\=\par
+ \let\endgraf=\par
+ \hbox\bgroup\strut#1\egroup}}
+
+% \setchemicalcoordinates{#1}{#2}
+%
+% #1: verplaatsing in x-richting
+% #2: verplaatsing in y-richting
+
+\newif\ifchemicaldirection
+
+\def\checkchemicaldirection#1#2%
+ {\ifchemicaldirection
+ \ifnum#1>0 \advance\horchemical -\chemicaldirection \fi
+ \ifnum#1<0 \advance\horchemical +\chemicaldirection \fi
+ \ifnum#2>0 \advance\verchemical -\chemicaldirection \fi
+ \ifnum#2<0 \advance\verchemical +\chemicaldirection \fi
+ \chemicaldirectionfalse
+ \fi}
+
+\def\processchemicaldirection%
+ {\chemicaldirectiontrue\processchemicaltranslate}
+
+\def\setchemicalcoordinates#1#2%
+ {\advance\horchemical #1\relax
+ \advance\verchemical #2\relax
+ \checkchemicaldirection{#1}{#2}%
+ \!!counta=-\horchemical\edef\chemicalxoffset{\the\!!counta}%
+ \!!countb=-\verchemical\edef\chemicalyoffset{\the\!!countb}%
+ \ifnum\chemicaldrawingmode=1
+ % njet
+ \else
+ \setcoordinatesystem point at {\the\horchemical} {\the\verchemical}
+ \fi}
+
+\def\resetchemicalcoordinates
+ {\horchemical=0
+ \verchemical=0
+ \edef\chemicalxoffset{0}%
+ \edef\chemicalyoffset{0}%
+ \ifnum\chemicaldrawingmode=1
+ % njet
+ \else
+ \setcoordinatesystem point at 0 0
+ \fi}
+
+\def\restorechemicalcoordinates
+ {%\writestatus{ppchtex}{restoring \the\horchemical,\the\verchemical}%
+ \edef\chemicalxoffset{\the\horchemical}%
+ \edef\chemicalyoffset{\the\verchemical}%
+ \ifnum\chemicaldrawingmode=1
+ % njet
+ \else
+ \setcoordinatesystem point at {\the\horchemical} {\the\verchemical}
+ \fi}
+
+\def\setchemicaltranslate #1 #2 #3
+ {\setvalue{\s!translate#1}{\setchemicalcoordinates{#2}{#3}}}
+
+\def\processchemicaltranslate#1%
+ {\def\doprocess[##1##2]%
+ {\doifchemicalnumber{##1}{MOV#1}
+ {\ifnum##1=0
+ \def\chemicaloffset{0}% incompatible change
+ \resetchemicalcoordinates
+ \else
+ \getvalue{\s!translate##1}%
+ \dochemicaloffset{##1}%
+ \def\chemicaloffset{0}%
+ \fi}}%
+ \doprocess[#1]}
+
+\def\setchemicaldistance #1
+ {\setvalue{\s!distance1}{\setchemicalcoordinates{-#1}{ 0}}%
+ \setvalue{\s!distance2}{\setchemicalcoordinates{ 0}{ #1}}%
+ \setvalue{\s!distance3}{\setchemicalcoordinates{ #1}{ 0}}%
+ \setvalue{\s!distance4}{\setchemicalcoordinates{ 0}{-#1}}}
+
+\def\setchemicaldirection #1
+ {\def\chemicaldirection{#1}}
+
+\def\processchemicaldistance#1%
+ {\def\doprocess[##1##2]%
+ {\doifchemicalnumber{##1}{ADJ#1}
+ {\ifnum##1=0
+ \resetchemicalcoordinates
+ \else
+ \def\@@chemicalpostponed{\getvalue{\s!distance##1}}%
+ \@@chemicalpostponed
+ \fi}}%
+ \doprocess[#1]}
+
+\def\setchemicalsubstitute #1
+ {\setvalue{\s!substitute1}{\setchemicalcoordinates{-#1}{ 0}}%
+ \setvalue{\s!substitute2}{\setchemicalcoordinates{ 0}{ #1}}%
+ \setvalue{\s!substitute3}{\setchemicalcoordinates{ #1}{ 0}}%
+ \setvalue{\s!substitute4}{\setchemicalcoordinates{ 0}{-#1}}}
+
+\def\processchemicalsubstitute#1%
+ {\def\doprocess[##1##2]%
+ {\doifchemicalnumber{##1}{SUB#1}
+ {\ifnum##1=0
+ \resetchemicalcoordinates
+ \else
+ \def\@@chemicalpostponed{\getvalue{\s!substitute##1}}%
+ \@@chemicalpostponed
+ \fi}}%
+ \doprocess[#1]}
+
+% Het is mogelijk een offset of move meerdere malen uit te
+% voeren, door een nummer voor het commando te plaatsen.
+
+\def\chemicalrepeat {1}
+
+\def\redoprocesschemical[#1#2]%
+ {\doifinstringelse{#1}{0123456789.}
+ {\edef\chemicalrepeat{\chemicalrepeat#1}%
+ \redoprocesschemical[#2]}
+ {\processchemical[#1#2]%
+ \def\chemicalrepeat{1}}}
+
+\def\doprocesschemical[#1#2]#3%
+ {\doifinstringelse{#1}{0123456789.}
+ {\def\chemicalrepeat{#1}%
+ \redoprocesschemical[#2]}
+ {#3}}
+
+% \dochemicaloffset{#1}
+%
+% #1: binding
+
+\def\chemicaloffset{0}
+
+\def\processchemicaloffset#1%
+ {\dimen0=62500 sp % real calc on cardinals, funny number
+ \dimen0=\chemicalrepeat\dimen0
+ \divide\dimen0 by \@@localchemicalscale
+ \!!counta=\dimen0
+ \def\doprocess[##1##2]%
+ {\doifinstringelse{##1}{128}
+ {\edef\chemicaloffset{\the\!!counta}}
+ {\doifinstringelse{##1}{456}
+ {\edef\chemicaloffset{-\the\!!counta}}
+ {\doifelse{##1}{0}
+ {\edef\chemicaloffset{0}}
+ {\unknownchemical{OFF#1}}}}}%
+ \doprocess[#1]}
+
+\def\dochemicaloffset#1%
+ {\ifnum\chemicaloffset=0
+ \def\undochemicaloffset{}%
+ \else
+ \setchemicalcoordinates{-\chemicaloffset}{0}%
+ \def\undochemicaloffset%
+ {\setchemicalcoordinates{\chemicaloffset}{0}%
+ \def\undochemicaloffset{}}%
+ \fi}
+
+\def\processchemicalphantom#1#2%
+ {\setbox0=\hbox
+ {\def\splitoff##1????{##1}%
+ $\@@dochemicalstyle{\@@localchemicalformat\splitoff#2}$}%
+ \dimen0=.25\wd0
+ \divide\dimen0 by \@@localchemicalscale
+ \!!counta=\dimen0
+ \doifinstringelse{#1}{128}
+ {\edef\chemicaloffset{\the\!!counta}}
+ {\doifinstringelse{#1}{456}
+ {\edef\chemicaloffset{-\the\!!counta}}
+ {\doifelse{#1}{0}
+ {\edef\chemicaloffset{0}}
+ {\unknownchemical{OF#1:#2}}}}}
+
+% \dosetchemicalrotation{#1}{#2}
+%
+% #1: cos(phi)
+% #2: sin(phi)
+
+\def\chemicalrotation {1}
+\def\chemicalangle {0}
+\def\chemicalxoffset {0}
+\def\chemicalyoffset {0}
+
+\def\setchemicalmirror#1%
+ {\setvalue{\s!mirror#1}{*}}
+
+\def\resetchemicalmirror#1%
+ {\resetvalue{\s!mirror#1}}
+
+\def\togglechemicalmirror#1%
+ {\doifelse{\getvalue{\s!mirror#1}}{*}
+ {\resetchemicalmirror{#1}}
+ {\setchemicalmirror{#1}}}
+
+\def\setchemicalrotation #1 #2 #3 #4 #5 #6 #7 #8 #9
+ {\setvalue{\s!rotate1.#1}{\dosetchemicalrotation{#2}{#3}}%
+ \setvalue{\s!rotate2.#1}{\dosetchemicalrotation{#4}{#5}}%
+ \setvalue{\s!rotate3.#1}{\dosetchemicalrotation{#6}{#7}}%
+ \setvalue{\s!rotate4.#1}{\dosetchemicalrotation{#8}{#9}}}
+
+\def\setchemicalangle #1 #2 #3 #4 #5
+ {\setvalue{\s!angle1.#1}{\dosetchemicalangle{#2}}%
+ \setvalue{\s!angle2.#1}{\dosetchemicalangle{#3}}%
+ \setvalue{\s!angle3.#1}{\dosetchemicalangle{#4}}%
+ \setvalue{\s!angle4.#1}{\dosetchemicalangle{#5}}}
+
+\def\chemicalrotate[#1]%
+ {\doifdefinedelse{\s!mirror#1}
+ {\getvalue{\s!rotate\chemicalrotation.#1\getvalue{\s!mirror#1}}%
+ \getvalue{\s!angle\chemicalrotation.#1\getvalue{\s!mirror#1}}}
+ {\getvalue{\s!rotate\chemicalrotation.#1}%
+ \getvalue{\s!angle\chemicalrotation.#1}}}
+
+\def\dosetchemicalangle#1% zwak zie onder
+ {\def\chemicalangle{#1}}
+
+\def\dosetchemicalrotation#1#2%
+ {\ifnum\chemicaldrawingmode=1
+ % njet
+ \else
+ \startrotation by {#1} {#2} %% \stoprotation (t.b.v. testen)
+ \fi}
+
+\def\doresetchemicalrotation
+ {\ifnum\chemicaldrawingmode=1
+ % njet
+ \else
+ \stoprotation
+ \fi}
+
+\def\processchemicalrotation#1%
+ {\def\doprocess[##1##2]%
+ {\doifnumberelse{##1}
+ {\def\chemicalrotation{##1}}
+ {\unknownchemical{ROT#1}}}%
+ \doprocess[#1]}
+
+% \filtertextelement[#1][#2][#3][#4]
+%
+% #1: volgnummer
+% #2: offset in uitlijningen
+% #3: lijst met uitlijningen -> \chemicalloca
+% #4: lijst met teksten -> \chemicaltext
+
+\def\setchemicallocation#1%
+ {\doifelse{#1}{}
+ {\edef\chemicalloca{c}}
+ {\edef\chemicalloca{#1}}}
+
+\newif\iffixedchemicaltext
+
+\def\filterchemicaltextelement[#1][#2][#3][#4]%
+ {\ifchemicaltextconstant
+ \def\chemicaltext{#4}%
+ \setchemicallocation{}%
+ \else
+ \ifnum#1=0\relax
+ \setchemicallocation{}%
+ \else
+ \iffixedchemicaltext
+ \!!counta#2
+ \else
+ \!!counta=\chemicalrotation
+ \advance\!!counta -1
+ \multiply\!!counta #2
+ \advance\!!counta #1
+ \fi
+ \getfromcommalist[#3][\the\!!counta]%
+ \setchemicallocation\commalistelement
+ \fi
+ \ifchemicalpicture
+ \let\chemicaltext\relax
+ \else
+ \advance\txtchemical 1
+ \getfromcommalist[#4][\txtchemical]%
+ \let\chemicaltext\commalistelement
+ \fi
+ \fi
+ \fixedchemicaltextfalse}
+
+% \putchemicaltext{#1}{#2}
+%
+% #1 : x-coordinaat
+% #2 : y-coordinaat
+%
+% \chemicaltext en \chemicalloca worden met \gettextelement
+% opgehaald uit de tweede set bij \chemie
+%
+% Ten behoeve van testdoeleinden wordt gebruik gemaakt van
+% \chemicalframe in plaats van het meer sjieke, maar tevens
+% meer trage \framed.
+
+\ifx\ruledhbox\undefined
+ \def\chemicalframe#1%
+ {\hbox
+ {\vrule\hskip-.4pt
+ \vbox{\hrule\vskip-.4pt\hbox{#1}\vskip-.4pt\hrule}%
+ \hskip-.4pt\vrule}}
+\else
+ \def\chemicalframe#1%
+ {\ruledhbox{#1}}
+\fi
+
+\def\doputchemicaltext#1 [#2] at #3 #4 %
+ {\ifnum\chemicaldrawingmode=1
+ \rput
+ {-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\expanded{\rput[#2]{\chemicalangle}(#3,#4){#1}}}%
+ \else
+ \put {#1} [#2] at {#3} {#4} %
+ \fi}
+
+\def\dodoifsinglelocation#1#2\\#3%
+ {\ifx#2\relax#3\fi}
+
+\def\doifsinglelocationelse#1%
+ {\expandafter\dodoifsinglelocationelse#1\relax\\}
+
+\def\putchemicaltext#1#2%
+ {\enablechemicalspecials
+ \ifchemicalpicture
+ \setchemicalpicture{#1}{#2}%
+ \else
+ \doifelse\@@chemicaloption\v!test
+ {\def\@@chemicalframe{\chemicalframe}}
+ {\def\@@chemicalframe{}}%
+ \dosetsubscripts
+ \setbox2=\hbox{\@@dochemicalcolor
+ $\@@dochemicalstyle{\@@localchemicalformat \chemicaltext}$}%
+ \setbox4=\hbox{$\@@dochemicalstyle{\@@localchemicalformat C_2^2}$}%
+ \setbox6=\hbox{$\@@dochemicalstyle{\@@localchemicalformat O}$}% or C
+ \doresetsubscripts
+ \doifnot\@@chemicallocation\v!intext
+ {\ht2=\ht4
+ \dp2=\dp4}%
+ \setbox2=\hbox{\@@chemicalframe{\box2}}%
+ \ifdim\wd2>\wd6
+ \doifelse{#1}{0}
+ {\doifnot{#2}{0}{\wd2=\wd6}}
+ {%\doifsinglelocation\chemicalloca
+ {\doifinset{\chemicalloca}{t,b}{\wd2=\wd6}}}% common ?
+ \fi
+ \expanded
+ {\doputchemicaltext
+ {\noexpand\dowithchemical{\copy2}} % per se \copy2 i.p.v. \box2
+ [\chemicalloca] at {#1} {#2} }
+ \nomoreaccounting
+ \fi
+ \disablechemicalspecials}
+
+\def\setchemicaltextelement #1 #2 #3
+ {\setvalue{\s!chemicaltextelement#1}{\putchemicaltext{#2}{#3}}}
+
+\def\getchemicalfixedtextelement%
+ {\fixedchemicaltexttrue
+ \getchemicaltextelement}
+
+\def\getchemicaltextelement[#1][#2][#3][#4][#5]%
+ {\filterchemicaltextelement[#2][#3][#4][#5]%
+ \doifelse{#2}{0}
+ {\dochemicaloffset{#2}% % incompatible change
+ \putchemicaltext{0}{0}%
+ \undochemicaloffset} % incompatible change
+ {\chemicalrotate[#2]%
+ \dochemicaloffset{#2}%
+ \def\chemicaltextelementnumber{#2}%
+ \getvalue{\s!chemicaltextelement#1}%
+ \getvalue{\s!chemicaltextelement#11}%
+ \getvalue{\s!chemicaltextelement#12}%
+ \getvalue{\s!chemicaltextelement#13}%
+ \undochemicaloffset}}
+
+\def\processchemicaltextelement#1#2#3#4#5%
+ {\def\doprocess[##1##2##3##4##5]%
+ {\doifelse{##1}{?}
+ {\doprocess[1..\maxchemical ????]}
+ {\doifchemicalnumber{##1}{#1#2}
+ {\doifelse{##2##3}{..}
+ {\doifchemicalnumber{##4}{#1#2}
+ {\getchemicaltextelement[#1][##1][#4][#5][#3]%
+ \doifnot{##1}{##4}
+ {\!!counta=##1\relax
+ \advance\!!counta by 1
+ \edef\nextsegment{\the\!!counta}%
+ \doprocess[\nextsegment..##4##5]}}}
+ {\getchemicaltextelement[#1][##1][#4][#5][#3]%
+ \doifnot{##2}{?}{\doprocess[##2##3##4##5]}}}}}%
+ \doprocess[#2]%
+ \smallchemicaltextfalse}
+
+\def\processchemicalsmalltextelement%
+ {\smallchemicaltexttrue\processchemicaltextelement}
+
+\def\processchemicalsmalltextconstant%
+ {\smallchemicaltexttrue\processchemicaltextconstant}
+
+\def\processchemicalunrotatedtextelement#1#2#3#4#5#6%
+ {\bgroup
+ \xdef\@@xxx{0}%
+ \xdef\@@yyy{0}%
+ \def\putchemicaltext##1##2%
+ {\xdef\@@xxx{##1}%
+ \xdef\@@yyy{##2}}%
+ \getvalue{\s!chemicaltextelement#1}%
+ \egroup
+ \bgroup
+ \def\doputchemicaltext##1 [##2] at ##3 ##4 %
+ {\ifnum\chemicaldrawingmode=1
+ \rput
+ {-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\rput{\chemicalangle}(\@@xxx,\@@yyy){\expanded{\rput[##2](##3,##4){##1}}}}%
+ \else
+ \put
+ {\stoprotation \setcoordinatesystem point at 0 0
+ \expanded{\put {##1} [##2] at {##3} {##4} }}
+ at {\@@xxx} {\@@yyy}
+ \fi}%
+ \processchemicaltextelement{#2}{#3}{#4}{#5}{#6}%
+ \egroup}
+
+\newif\ifchemicaltextconstant
+
+\def\processchemicaltextconstant#1#2#3#4%
+ {\chemicaltextconstanttrue
+ \let\@@oldchemicalframe\@@chemicalframe
+ \let\@@chemicalframe\relax
+ \processchemicaltextelement{#1}{#2}{#3}{#4}{}%
+ \let\@@chemicalframe\@@oldchemicalframe
+ \chemicaltextconstantfalse}
+
+% \plotchemicalline{#1}{#2}{#3}{#4}
+%
+% #1: x-coordinaat beginpunt
+% #2: y-coordinaat beginpunt
+% #3: x-coordinaat eindpunt
+% #4: y-coordinaat eindpunt
+
+\chardef\chemicallinetype=0
+
+\def\doplotchemicalline
+ {\!!counte=\!!countc \advance\!!counte by -\!!counta
+ \!!countf=\!!countd \advance\!!countf by -\!!countb
+ \bgroup
+ \ifcase\chemicaldrawingmode
+ \ifcase\chemicallinetype
+ % 0 : normal line
+ \plot {\!!counta} {\!!countb} {\!!countc} {\!!countd} /%
+ \or
+ % 1 : normal arrow
+ \arrow <5pt> [.2,.67] from {\!!counta} {\!!countb} to {\!!countc} {\!!countd}
+ \or
+ % 2 : reverse arrow
+ \arrow <5pt> [.2,.67] from {\!!countc} {\!!countd} to {\!!counta} {\!!countb}
+ \or
+ % 3 : unrotated line
+ \put {\stoprotation \setcoordinatesystem point at 0 0
+ \plot 0 0 {\!!counte} {\!!countf} /}
+ [\chemicallineposition] at {\!!counta} {\!!countb}
+ \else
+ % 4 : dashed line
+ \findlength {\plot {\!!counta} {\!!countb} {\!!countc} {\!!countd} /}%
+ \setdashesnear <2pt> for <\totalarclength>%
+ \plot {\!!counta} {\!!countb} {\!!countc} {\!!countd} /%
+ \fi
+ \or
+ \ifcase\chemicallinetype
+ \rput
+ {-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\psline(\!!counta,\!!countb)(\!!countc,\!!countd)}%
+ \or
+ \rput
+ {-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\psline{->}(\!!counta,\!!countb)(\!!countc,\!!countd)}%
+ \or
+ \rput
+ {-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\psline{<-}(\!!counta,\!!countb)(\!!countc,\!!countd)}%
+ \or
+ \rput
+ {-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\expanded{\rput[\chemicallineposition]{-\chemicalangle}%
+ (\!!counta,\!!countb){\psline(0,0)(\!!counte,\!!countf)}}}%
+ \else
+ \psset{linestyle=dashed}%
+ \rput
+ {-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\psline(\!!counta,\!!countb)(\!!countc,\!!countd)}%
+ \fi
+ \or
+ \global\MPdrawingdonetrue
+ \setchemicalattributes
+ \startMPdrawing
+ x0 := \MPdivten[\chemicalxoffset]u ;
+ y0 := \MPdivten[\chemicalyoffset]u ;
+ x1 := \MPdivten[\the\!!counta]u ;
+ y1 := \MPdivten[\the\!!countb]u ;
+ x2 := \MPdivten[\the\!!countc]u ;
+ y2 := \MPdivten[\the\!!countd]u ;
+ x3 := \MPdivten[\the\!!counte]u ;
+ y3 := \MPdivten[\the\!!countf]u ;
+ \ifcase\chemicallinetype
+ % 0 : normal line
+ draw ((z1--z2) rotatedaround(origin,-\chemicalangle))
+ shifted z0 ;
+ \or
+ % 1 : normal arrow
+ drawarrow ((z1--z2) rotatedaround(origin,-\chemicalangle))
+ shifted z0 ;
+ \or
+ % 2 : reverse arrow
+ drawarrow ((z2--z1) rotatedaround(origin,-\chemicalangle))
+ shifted z0 ;
+ \or
+ % 3 : unrotated line % nog \chemicalineposition: t/b
+ draw (origin--z3)
+ shifted (z1 rotatedaround(origin,-\chemicalangle))
+ shifted z0 ;
+ \else
+ % 4 : dashed line
+ draw ((z1--z2) rotatedaround(origin,-\chemicalangle))
+% shifted z0 dashed evenly ;
+ shifted z0 dashed dashpattern(on 5.5u off 6u) ;
+ \fi
+ \stopMPdrawing
+ \fi
+ \egroup
+ \account\!!counta\!!countb
+ \account\!!countc\!!countd}
+
+\def\plotchemicalline#1#2#3#4%
+ {\!!counta=#1\!!countb=#2\!!countc=#3\!!countd=#4\relax
+ \doplotchemicalline}
+
+\def\plotchemicalfactorline#1#2#3#4%
+ {\!!counta=#1\!!countb=#2\!!countc=#3\!!countd=#4\relax
+ \ifdim\@@chemicalfactor\onepoint=\onepoint \else
+ \scratchdimen\!!counta\s!sp \multiply\scratchdimen1000 \scratchdimen\@@chemicalfactor\scratchdimen \divide\scratchdimen1000 \!!counta\scratchdimen
+ \scratchdimen\!!countc\s!sp \multiply\scratchdimen1000 \scratchdimen\@@chemicalfactor\scratchdimen \divide\scratchdimen1000 \!!countc\scratchdimen
+ \fi
+ \doplotchemicalline}
+
+\def\plotchemicalzline#1#2#3#4%
+ {\!!counta=#1\!!countb=#2\!!countc=#3\!!countd=#4\relax
+ \ifnum\chemicaldrawingmode=2
+ \global\MPdrawingdonetrue
+ \setchemicalattributes
+ \startMPdrawing
+ x0 := \MPdivten[\chemicalxoffset]u ;
+ y0 := \MPdivten[\chemicalyoffset]u ;
+ x1 := \MPdivten[\the\!!counta]u ;
+ y1 := \MPdivten[\the\!!countb]u ;
+ x2 := \MPdivten[\the\!!countc]u ;
+ y2 := \MPdivten[\the\!!countd]u ;
+ filldraw ((
+ \ifnum\chemicalangle>180
+ z1--z2
+ \else\ifnum\chemicalangle<90
+ z1--(z2 shifted (-2u,+2u))--(z2 shifted (+2u,-2u))
+ \else\ifnum\chemicalangle=90
+ (z1 shifted (-2u,+2u))--(z1 shifted (+2u,-2u))--
+ (z2 shifted (+2u,+2u))--(z2 shifted (-2u,-2u))
+ \else
+ (z1 shifted (+2u,+2u))--(z1 shifted (-2u,-2u))--z2
+ \fi\fi\fi
+ --cycle) rotatedaround(origin,-\chemicalangle)) shifted z0 ;
+ \stopMPdrawing
+ \else
+ \doplotchemicalline
+ \ifnum\chemicalangle>180 \else
+ \ifnum\chemicalangle=90
+ \advance\!!counta by -20 \advance\!!countc by -20
+ \doplotchemicalline
+ \advance\!!counta by 40 \advance\!!countc by 40
+ \else\ifnum\chemicalangle<90
+ \advance\!!countc by -20 \advance\!!countd by +20
+ \doplotchemicalline
+ \advance\!!countc by +40 \advance\!!countd by -40
+ \else
+ \advance\!!counta by 20 \advance\!!countb by 20
+ \doplotchemicalline
+ \advance\!!counta by -40 \advance\!!countb by -40
+ \fi\fi
+ \fi
+ \doplotchemicalline
+ \fi}
+
+\def\plotchemicaldeltaline#1#2#3#4%
+ {\!!counta=#1\!!countb=#2\!!countc=#3\!!countd=#4\relax
+ \ifnum\chemicaldrawingmode=2
+ \global\MPdrawingdonetrue
+ \setchemicalattributes
+ \startMPdrawing
+ x0 := \MPdivten[\chemicalxoffset]u ;
+ y0 := \MPdivten[\chemicalyoffset]u ;
+ x1 := \MPdivten[\the\!!counta]u ;
+ y1 := \MPdivten[\the\!!countb]u ;
+ x2 := \MPdivten[\the\!!countc]u ;
+ y2 := \MPdivten[\the\!!countd]u ;
+ filldraw ((z1--(z2 rotatedaround(z1,5))--(z2 rotatedaround(z1,-5))
+ --cycle) rotatedaround(origin,-\chemicalangle))
+ shifted z0 ;
+ \stopMPdrawing
+ \account{#1}{#2}%
+ \account{#3}{#4}%
+ \else
+ \doplotchemicalline
+ \advance\!!countc by 16 \advance\!!countd by -21
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -8 \advance\!!countd by 14
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \fi}
+
+\def\setchemicallinesegment #1 #2 #3 #4 #5
+ {\setvalue{\s!chemicallinesegment#1}{\plotchemicalline{#2}{#3}{#4}{#5}}}
+
+\def\setchemicalfactorlinesegment #1 #2 #3 #4 #5
+ {\setvalue{\s!chemicallinesegment#1}{\plotchemicalfactorline{#2}{#3}{#4}{#5}}}
+
+\def\getchemicallinesegment[#1][#2]%
+ {\chemicalrotate[#1]%
+ \dochemicaloffset{#1}%
+ \getvalue{\s!chemicallinesegment#2}%
+ \getvalue{\s!chemicallinesegment#21}%
+ \getvalue{\s!chemicallinesegment#22}%
+ \undochemicaloffset}
+
+\def\getprivatechemicallinesegment[#1][#2]%
+ {\chemicalrotate[#1]%
+ \getvalue{\s!chemicallinesegment#2#1}}
+
+\def\doprocesschemicallinesegment#1#2#3#4#5%
+ {\chardef\chemicallinetype=#1
+ \def\chemicallineposition{#2}%
+ \def\doprocess[##1##2##3##4##5]%
+ {\doifelse{##1}{?}
+ {\doprocess[1..\maxchemical ????]}
+ {\doifchemicalnumber{##1}{#4#5}
+ {\doifelse{##2##3}{..}
+ {\doifchemicalnumber{##4}{#4#5}
+ {#3[##1][#4]%
+ \doifnot{##1}{##4}
+ {\!!counta=##1\relax
+ \advance\!!counta by 1
+ \edef\nextsegment{\the\!!counta}%
+ \doprocess[\nextsegment..##4##5]}}}
+ {#3[##1][#4]%
+ \doifnot{##2}{?}
+ {\doprocess[##2##3##4##5]}}}}}%
+ \doprocess[#5]}
+
+\def\processchemicallinesegment
+ {\doprocesschemicallinesegment0c\getchemicallinesegment}
+
+\def\processchemicalzlinesegment#1#2%
+ {%\doprocesschemicallinesegment0c\getchemicallinesegment{#1}{#2}%
+ \bgroup
+ \def\plotchemicalline{\plotchemicalzline}%
+ \doprocesschemicallinesegment0c\getchemicallinesegment{#1}{#2}%
+ \egroup}
+
+\def\processchemicaldeltalinesegment#1#2%
+ {%\doprocesschemicallinesegment0c\getchemicallinesegment{#1}{#2}%
+ \bgroup
+ \def\plotchemicalline{\plotchemicaldeltaline}%
+ \doprocesschemicallinesegment0c\getchemicallinesegment{#1}{#2}%
+ \egroup}
+
+\def\processprivatechemicallinesegment%
+ {\doprocesschemicallinesegment0c\getprivatechemicallinesegment}
+
+\def\processchemicaldownarrowsegment%
+ {\doprocesschemicallinesegment1c\getchemicallinesegment}
+
+\def\processchemicaluparrowsegment%
+ {\doprocesschemicallinesegment2c\getchemicallinesegment}
+
+\def\processchemicalunrotatedlinesegment#1%
+ {\doprocesschemicallinesegment3{#1}\getchemicallinesegment}
+
+\def\processchemicaldashedlinesegment
+ {\doprocesschemicallinesegment4c\getchemicallinesegment}
+
+\def\plotchemicaldasheddeltaline#1#2#3#4%
+ {\!!counta=#1\!!countb=#2\!!countc=#3\!!countd=#4\relax
+ \ifnum\chemicaldrawingmode=2
+ \global\MPdrawingdonetrue
+ \setchemicalattributes
+ \startMPdrawing
+ x0 := \MPdivten[\chemicalxoffset]u ;
+ y0 := \MPdivten[\chemicalyoffset]u ;
+ x1 := \MPdivten[\the\!!counta]u ;
+ y1 := \MPdivten[\the\!!countb]u ;
+ x2 := \MPdivten[\the\!!countc]u ;
+ y2 := \MPdivten[\the\!!countd]u ;
+ z20 = z2 rotatedaround(z1,+5) ;
+ z21 = z2 rotatedaround(z1,-5) ;
+ draw (z1 rotatedaround(origin,-\chemicalangle)) shifted z0 ;
+ save n ; n := 5 ;
+ for i=1 upto n :
+ draw ((((z20--z21) shifted -z2) shifted (i/n)[z2,z1])
+ rotatedaround(origin,-\chemicalangle)) shifted z0 ;
+ endfor
+ \stopMPdrawing
+ \account{#1}{#2}%
+ \account{#3}{#4}%
+ \else
+ \doplotchemicalline
+ \advance\!!countc by 16 \advance\!!countd by -21
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -8 \advance\!!countd by 14
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \fi}
+
+\def\plotchemicalwavyline#1#2#3#4%
+ {\!!counta=#1\!!countb=#2\!!countc=#3\!!countd=#4\relax
+ \ifnum\chemicaldrawingmode=2
+ \global\MPdrawingdonetrue
+ \setchemicalattributes
+ \startMPdrawing
+ x0 := \MPdivten[\chemicalxoffset]u ;
+ y0 := \MPdivten[\chemicalyoffset]u ;
+ x1 := \MPdivten[\the\!!counta]u ;
+ y1 := \MPdivten[\the\!!countb]u ;
+ x2 := \MPdivten[\the\!!countc]u ;
+ y2 := \MPdivten[\the\!!countd]u ;
+ save d ; pair d ;
+ d := z2 rotatedaround(z1,+5) shifted -z2 ;
+ save n ; n := 4 ;
+ draw ((for i=0 upto n-1 :
+ ((i)/n)[z1,z2] ..
+ ((i+.25)/n)[z1,z2] shifted d ..
+ ((i+.50)/n)[z1,z2] ..
+ ((i+.75)/n)[z1,z2] shifted -d ..
+ endfor
+ z2) rotatedaround(origin,-\chemicalangle)) shifted z0 ;
+ \stopMPdrawing
+ \account{#1}{#2}%
+ \account{#3}{#4}%
+ \else
+ \doplotchemicalline
+ \advance\!!countc by 16 \advance\!!countd by -21
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -8 \advance\!!countd by 14
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \advance\!!countc by -4 \advance\!!countd by 7
+ \doplotchemicalline
+ \fi}
+
+\def\processchemicaldasheddeltalinesegment#1#2%
+ {\bgroup
+ \def\plotchemicalline{\plotchemicaldasheddeltaline}%
+ \doprocesschemicallinesegment0c\getchemicallinesegment{#1}{#2}%
+ \egroup}
+
+\def\processchemicalwavylinesegment#1#2%
+ {\bgroup
+ \def\plotchemicalline{\plotchemicalwavyline}%
+ \doprocesschemicallinesegment0c\getchemicallinesegment{#1}{#2}%
+ \egroup}
+
+\def\processchemicalopenend#1#2%
+ {\doprocesschemicallinesegment0c\doprocesschemicalopenend{#1}{#2}}
+
+\def\doprocesschemicalopenend[#1][#2]%
+ {\chemicalrotate[#1]%
+ \dochemicaloffset{#1}%
+ \ifcase\chemicaldrawingmode
+ \beginpicture
+ \setquadratic\plot
+ 300 0 400 0
+ 500 0 550 75
+ 600 0 650 -75
+ 700 0 750 75
+ 800 0 850 -75
+ 900 0 950 0
+ 1050 0 /
+ \endpicture
+ \or
+ \rput{-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\psline(300,0)(500,0)%
+ \rput(500,0){\psplot[yunit=75,plotstyle=curve]{0}{720}{x sin}}%
+ \psline(950,0)(1050,0)}%
+ \or
+ \global\MPdrawingdonetrue
+ \setchemicalattributes
+ \startMPdrawing
+ x0 := \MPdivten[\chemicalxoffset]u ;
+ y0 := \MPdivten[\chemicalyoffset]u ;
+ draw
+ (((30.0u,0)--(50.0u,0){up}..(55.0u,7.5u)..
+ (60.0u,0)..(65.0u,-7.5u)..(70.0u,0)..
+ (75.0u,7.5u)..(80.0u,0)..(85.0u,-7.5u)..{up}
+ (90.0u,0)--(105.0u,0)) rotatedaround(origin,-\chemicalangle))
+ shifted z0 ;
+ \stopMPdrawing
+ \fi
+ \undochemicaloffset}
+
+% \plotchemicalcircle{#1}{#2}{#3}{#4}
+%
+% #1: lengte van de boog in graden
+% #2: x-coordinaat eindpunt
+% #3: y-coordinaat eindpunt
+
+\newif\ifchemicaldotted
+
+\def\plotchemicalcircle#1#2#3#4#5#6%
+ {\bgroup
+ \ifcase\chemicaldrawingmode
+ \ifchemicaldotted
+ \findlength{\circulararc {#4} degrees from {#5} {#6} center at {0} {0} }%
+ \divide\totalarclength by 6
+ \def\b{\the\totalarclength}%
+ \divide\totalarclength by 2
+ \def\a{\the\totalarclength}%
+ \setdashpattern <\a,\b,\b,\b,\b,\b,\a>
+ \fi
+ \circulararc {#4} degrees from {#5} {#6} center at {0} {0} %
+ \or
+ \ifchemicaldotted
+ \psset{linestyle=dashed}%
+ \fi
+ \rput
+ {-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\psarc(0,0){#3}{#1}{#2}}%
+ \or
+ \global\MPdrawingdonetrue
+ \setchemicalattributes
+ \startMPdrawing
+ r := \MPdivten[#3]*2u;
+ x0 := \MPdivten[\chemicalxoffset]u ;
+ y0 := \MPdivten[\chemicalyoffset]u ;
+ draw ((subpath (#1/45,#2/45) of (fullcircle scaled (r)))
+ rotatedaround (origin,\chemicalangle+150))
+ shifted z0 \ifchemicaldotted dashed withdots \fi ;
+ \stopMPdrawing
+ \fi
+ \egroup}
+
+\def\setchemicalcircsegment #1 #2 #3 #4 #5 #6 #7
+ {\setvalue{\s!chemicalcircsegment#1}{\plotchemicalcircle{#2}{#3}{#4}{#5}{#6}{#7}}}
+
+\def\getchemicalcircsegment[#1][#2]%
+ {\chemicalrotate[#1]%
+ \getvalue{\s!chemicalcircsegment#2}}
+
+\def\doprocesschemicalcircsegment#1#2%
+ {\def\doprocess[##1##2##3##4##5]%
+ {\doifelse{##1}{?}
+ {\doprocess[1..\maxchemical ????]}
+ {\doifchemicalnumber{##1}{#1#2}
+ {\doifelse{##2##3}{..}
+ {\doifchemicalnumber{##4}{#1#2}
+ {\getchemicalcircsegment[##1][#1]%
+ \doifnot{##1}{##4}
+ {\!!counta=##1\relax
+ \advance\!!counta by 1
+ \edef\nextsegment{\the\!!counta}%
+ \doprocess[\nextsegment..##4##5]}}}
+ {\getchemicalcircsegment[##1][#1]%
+ \doifnot{##2}{?}
+ {\doprocess[##2##3##4##5]}}}}}%
+ \doprocess[#2]}
+
+\def\processchemicalcircsegment%
+ {\chemicaldottedfalse\doprocesschemicalcircsegment}
+
+\def\processchemicaldottsegment%
+ {\chemicaldottedtrue\doprocesschemicalcircsegment}
+
+\let\endchemicalpicture = \relax
+\let\checkchemicalpicture = \relax
+\let\nomoreaccounting = \relax
+
+\newif\ifchemicalpicture
+
+\def\beginchemicalpicture#1% NO PSTRICKS SUPPORT YET
+ {\checkchemicalpicture
+ \bgroup % DOES NOT HANDLE AUTOWIDTH/HEIGHT
+ \chemicalpicturetrue
+ \processchemical[#1]}
+
+\def\setchemicalpicture#1#2%
+ {\chemicalpicturefalse
+ \def\endchemicalpicture%
+ {\@@endchemicallocalpicture{#1}{#2}%
+ \egroup
+ \ifnum\chemicaldrawingmode=1
+ \rput
+ {-\chemicalangle}(\chemicalxoffset,\chemicalyoffset)%
+ {\expanded{\rput[\chemicalloca]{\chemicalangle}(#1,#2){\box\nextbox}}}%
+ \else
+ \expanded{\put{\box\nextbox}[\chemicalloca] at {#1} {#2} }
+ \fi
+ \egroup}%
+ \def\checkchemicalpicture%
+ {\ifx\endchemicalpicture\relax \else
+ \writestatus{ppchtex}{missing end of picture (PE)}%
+ \endchemicalpicture
+ \fi}%
+ \setbox\nextbox=\hbox\bgroup
+ \@@beginchemicallocalpicture
+ % alternatief: gewoon accounting, en zelf l,r afhandelen
+ \ifnum\chemicaldrawingmode=1
+ % njet
+ \else
+ \accountingon
+ \let\nomoreaccounting=\accountingoff
+ \fi}
+
+\def\doskipchemical[#1][#2]%
+ {{\tt[ppchtex]}}
+
+\def\skipchemical%
+ {\dodoubleargument\doskipchemical}
+
+\def\complexchemical% met \expandafter
+ {\ifinchemical
+ \expandafter\dochemical
+ \else
+ \writestatus{ppchtex}{the [][]-alternative is not permitted here}%
+ \expandafter\skipchemical
+ \fi}
+
+\newif\ifinnerchemical
+
+\def\dosimplechemical#1#2#3%
+ {\doifdefinedelse{\??chemical\c!location}
+ {\writestatus{ppchtex}{the {}{}-alternative is not permitted here}}
+ {\ifinnerchemical
+ \let\chemicalsign = \chemicalinnersign
+ \let\chemicalmolecule = \chemicalinnermolecule
+ \let\chemicalsinglearrow = \chemicalsingleinnerarrow
+ \let\chemicaldoublearrow = \chemicaldoubleinnerarrow
+ \let\chemicaltwintiparrow = \chemicaltwintipinnerarrow
+ \else
+ \let\chemicalsign = \chemicaloutersign
+ \let\chemicalmolecule = \chemicaloutermolecule
+ \let\chemicalsinglearrow = \chemicalsingleouterarrow
+ \let\chemicaldoublearrow = \chemicaldoubleouterarrow
+ \let\chemicaltwintiparrow = \chemicaltwintipouterarrow
+ \fi
+ \disablechemicalspecials
+ \unexpandedprocessallactionsinset
+ [#1]
+ [ HIGH=>\sethighsubscripts,
+ LOW=>\setlowsubscripts,
+ PLUS=>\chemicalsign{+},
+ GIVES=>\chemicalsinglearrow{#2}{#3},
+ EQUILIBRIUM=>\chemicaldoublearrow{#2}{#3},
+ MESOMERIC=>\chemicaltwintiparrow{#2}{#3},
+ SINGLE=>\singlechemicalbond,
+ DOUBLE=>\doublechemicalbond,
+ TRIPLE=>\triplechemicalbond,
+ +=>\chemicalsign{+},
+ ->=>\chemicalsinglearrow{#2}{#3},
+ <->=>\chemicaldoublearrow{#2}{#3},
+ <>=>\chemicaltwintiparrow{#2}{#3},
+ -=>\singlechemicalbond,
+ --=>\doublechemicalbond,
+ ---=>\triplechemicalbond,
+ \s!unknown=>\enablechemicalspecials
+ \chemicalmolecule{\commalistelement}{#2}{#3}]}}
+
+%\def\dosimplechemicalA#1#2#3%
+% {\let\chemicalspace=\relax
+% \def\dodosimplechemical##1%
+% {\dosimplechemical{##1}{}{}}%
+% \@EA\processcommalist\@EA[\@@chemicalchemicaloffset,#1]\dodosimplechemical
+% \egroup}
+
+\def\dosimplechemicalA#1#2#3% % evt: {#1,\relax}
+ {\let\chemicalspace=\relax
+ \@EA\dosimplechemical\@EA{\@@chemicalchemicaloffset,#1}{#2}{#3}%
+ \egroup}
+
+\def\dosimplechemicalB#1#2#3%
+ {\dosimplechemical{#1}{#2}{#3}%
+ \egroup}
+
+\def\dosimplechemicalC#1#2#3%
+ {$\simplechemical{#1}{#2}{#3}$%
+ \egroup} % erbij
+
+\def\simplechemical
+ {\ifinner
+ \innerchemicaltrue
+ \else
+ \innerchemicalfalse
+ \fi
+ \bgroup
+ \catcode`\^=\@@superscript % t.b.v. \enableduplication
+ \catcode`\_=\@@subscript % t.b.v. de zekerheid
+ \ifmmode
+ \ifinnerchemical
+ \def\next{\dotriplegroupempty\dosimplechemicalA}%
+ \else
+ \def\next{\dotriplegroupempty\dosimplechemicalB}%
+ \fi
+ \else
+ \def\next{\dotriplegroupempty\dosimplechemicalC}%
+ \fi
+ \next}
+
+\definecomplexorsimple\chemical
+
+\def\dogotochemical#1#2%
+ {\def\dowithchemical% % experiment
+ {\localgotochemical{#1}}% % experiment
+ \chemical} % experiment
+
+\def\gotochemical% % experiment
+ {\dosingleargument\dogotochemical} % experiment
+
+\def\dododochemical#1[#2][#3]% % experiment
+ {\def\simpledododochemical% % experiment
+ {#1[#2][#3]}% % experiment
+ \def\complexdododochemical[##1]% % experiment
+ {\def\dowithchemical% % experiment
+ {\localthisischemical{#2}}% % experiment
+ #1[#3][##1]}% % experiment
+ \complexorsimple\dododochemical} % experiment
+
+\def\dodochemical[#1][#2]%
+ {\ignorespaces
+ \ifinchemical
+ \drawchemical[#1][#2]%
+ \ignorespaces
+ \else
+ \startchemical[\c!location=\v!intext]%
+ \drawchemical[#1][#2]%
+ \expandafter\stopchemical
+ \fi
+ \ignorespaces}
+
+\def\dochemical[#1]%
+ {\def\simpledochemical%
+ {\@@writechemicalstate{ppchtex}{[#1][]}%
+ \dodochemical[#1][]}%
+ %
+ \def\complexdochemical[##1]%
+ {\@@writechemicalstate{ppchtex}{[#1][##1]}%
+ \txtchemical=0%
+ \dodochemical[#1][##1]}%
+ %
+ \def\complexdochemical[##1]% % experiment
+ {\@@writechemicalstate{ppchtex}{[#1][##1]}% % experiment
+ \txtchemical=0% % experiment
+ \dododochemical\dodochemical[#1][##1]}% % experiment
+ %
+ \complexorsimple\dochemical}
+
+% \processlocalchemicals{#1}
+%
+% #1: commando's
+
+\def\dodoprocesschemical#1%
+ {\processchemical[#1????]}
+
+\def\processlocalchemicals#1%
+ {\processcommalist[#1]\dodoprocesschemical}
+
+% \drawchemical[#1][#2]
+%
+% #1: bindingen enz.
+% #2: atomen enz.
+
+\def\localdodochemical[#1][#2]%
+ {\@@writechemicalstate{ppchtex}{[#1][#2]}%
+ %\bgroup % koppelen en afmetingen gaat fout, vandaar:
+ \advance\levchemical 1
+ \letvalue{\??chemical\s!unknown\the\levchemical}\unknownchemical
+ \setevalue{\??chemical\c!text\the\levchemical}{\the\txtchemical}%
+ \txtchemical=0
+ \dodochemical[#1][#2]%
+ % \@EA\txtchemical\@EA\csname\??chemical\c!text\the\levchemical\endcsname
+ \txtchemical\csname\??chemical\c!text\the\levchemical\endcsname
+ \@EA\let\@EA\unknownchemical\csname\??chemical\s!unknown\the\levchemical\endcsname
+ \advance\levchemical -1
+ %\egroup
+ \ignorespaces}
+
+\def\drawchemical[#1][#2]%
+ {\ignorespaces
+ \def\dodochemical[##1][##2]%
+ {\drawchemical[##1][##2]%
+ \ignorespaces}%
+ \def\dochemical[##1]%
+ {\def\simpledochemical%
+ {\@@writechemicalstate{ppchtex}{[##1][#2]}%
+ \dodochemical[##1][#2]%
+ \ignorespaces}%
+ \def\complexdochemical[####1]%
+ {\dododochemical\localdodochemical[##1][####1,#2]}%
+ \complexorsimple\dochemical}%
+ \doif\@@chemicalstate\v!start
+ {\doifelse\chemicalname\s!unknown
+ {\getvalue{\s!executechemical\defaultchemical}[#2]}
+ {\getvalue{\s!executechemical\chemicalname}[#2]}%
+ \def\unknownchemical##1%
+ {\processunknownchemical[##1][#2]}%
+ \processcommalist[\@@chemicaloffset,#1]\dodoprocesschemical}%
+ \ignorespaces}
+
+\unexpanded\def\chemicaloxidation#1#2#3%
+ {\chemicaltop
+ {\ifnum#20=0
+ 0%
+ \else
+ #1\expandafter\uppercase\expandafter{\romannumeral#2}%
+ \fi}
+ {#3}}
+
+\def\chemicaltfraction{\ifinchemical.60\else.8\fi}
+\def\chemicalbfraction{\ifinchemical.45\else.6\fi}
+\def\chemicallfraction{\ifinchemical.1\else.1\fi}
+\def\chemicalrfraction{\ifinchemical.1\else.1\fi}
+
+\def\chemicaltighttext
+ {\def\chemicaltfraction{\ifinchemical.3\else.6\fi}%
+ \def\chemicalbfraction{\ifinchemical.2\else.4\fi}%
+ \def\chemicallfraction{\ifinchemical 0\else 0\fi}%
+ \def\chemicalrfraction{\ifinchemical 0\else 0\fi}}
+
+\def\dochemicaltop#1#2#3#4%
+ {\vbox
+ {\@@dochemicalcolor
+ \baselineskip=\chemicaltfraction\baselineskip \lineskip0pt
+ \halign
+ {#1###2\cr
+ $\@@dochemicalstyle{\scriptscriptstyle#3}$\cr
+ $\@@dochemicalstyle{\@@currentchemicalformat#4}$\cr}}}
+
+\def\dochemicalbottom#1#2#3#4%
+ {\vtop
+ {\@@dochemicalcolor
+ \baselineskip=\chemicalbfraction\baselineskip \lineskip0pt
+ \halign
+ {#1###2\cr
+ $\@@dochemicalstyle{\@@currentchemicalformat#4}$\cr
+ $\@@dochemicalstyle{\scriptscriptstyle#3}$\cr}}}
+
+\def\chemicalleft#1#2%
+ {\hbox
+ {\@@dochemicalcolor
+ $\@@dochemicalstyle{\scriptscriptstyle#1}$%
+ $\@@dochemicalstyle{\@@currentchemicalformat\hskip\chemicallfraction em#2}$}}
+
+\def\chemicalright#1#2%
+ {\hbox
+ {\@@dochemicalcolor
+ $\@@dochemicalstyle{\@@currentchemicalformat#2\hskip\chemicalrfraction em}$%
+ $\@@dochemicalstyle{\scriptscriptstyle#1}$}}
+
+\def\chemicalcentered#1%
+ {\setbox0=\hbox{$\@@dochemicalstyle{\scriptscriptstyle#1}$}%
+ \setbox2=\hbox{$\@@dochemicalstyle{\@@currentchemicalformat C}$}%
+ \dimen0=.5\ht2
+ \advance\dimen0 by -.5\ht0
+ \advance\dimen0 by \dp0
+ \hbox{\@@dochemicalcolor\raise\dimen0\box0}}
+
+\def\chemicalleftcentered#1#2%
+ {\hbox
+ {\@@dochemicalcolor
+ \chemicalcentered{#1}%
+ $\@@dochemicalstyle{\@@currentchemicalformat\hskip\chemicallfraction em#2}$}}
+
+\def\chemicalrightcentered#1#2%
+ {\hbox
+ {\@@dochemicalcolor
+ $\@@dochemicalstyle{\@@currentchemicalformat#2\hskip\chemicalrfraction em}$%
+ \chemicalcentered{#1}}}
+
+\def\chemicaltop {\dochemicaltop \hss \hss }
+\def\chemicallefttop {\dochemicaltop \relax \hss }
+\def\chemicalrighttop {\dochemicaltop \hss \relax}
+\def\chemicalbottom {\dochemicalbottom \hss \hss }
+\def\chemicalleftbottom {\dochemicalbottom \relax \hss }
+\def\chemicalrightbottom {\dochemicalbottom \hss \relax}
+
+\def\chemicaltopleft #1{\chemicalleft {\chemicallefttop {#1}{}}}
+\def\chemicalbottomleft #1{\chemicalleft {\chemicalleftbottom{#1}{}}}
+\def\chemicaltopright #1{\chemicalright{\chemicallefttop {#1}{}}}
+\def\chemicalbottomright#1{\chemicalright{\chemicalleftbottom{#1}{}}}
+
+\def\chemicalsmashedleft#1%
+ {\hbox\bgroup
+ \@@dochemicalcolor
+ \setbox0=\hbox{$\@@dochemicalstyle{\@@currentchemicalformat C}$}%
+ \setbox2=\hbox{$\@@dochemicalstyle{\@@currentchemicalformat#1}$}%
+ \wd2=\wd0
+ \box2
+ \egroup}
+
+\def\chemicalsmashedmiddle#1%
+ {\hbox\bgroup
+ \@@dochemicalcolor
+ \setbox0=\hbox{$\@@dochemicalstyle{\@@currentchemicalformat C}$}%
+ \setbox2=\hbox{$\@@dochemicalstyle{\@@currentchemicalformat#1}$}%
+ \hbox{\hskip-.5\wd2\hskip.5\wd0\box2}
+ \egroup}
+
+\def\chemicalsmashedright#1%
+ {\hbox\bgroup
+ \@@dochemicalcolor
+ \setbox0=\hbox{$\@@dochemicalstyle{\@@currentchemicalformat C}$}%
+ \setbox2=\hbox{$\@@dochemicalstyle{\@@currentchemicalformat#1}$}%
+ \hbox to \wd0{\hskip-\wd2\hskip\wd0\box2}%
+ \egroup}
+
+\def\+{\tabalign} % is \long in Plain
+
+\def\chemicalforever#1#2%
+ {\bgroup
+ \setbox0=\hbox
+ {\@@dochemicalcolor
+ $\@@dochemicalstyle{\scriptscriptstyle\hskip-.15em#2}$}%
+ \wd0=0pt
+ \big#1_{\hskip.1em\box0}%
+ \egroup}
+
+\def\disablechemicalspecials%
+ {\def\+##1{##1}\def\-##1{##1}%
+ \def\[{[}\def\]{]}%
+ \def\1{}\def\2{}\def\3{}\def\4{}\def\5{}\def\6{}\def\7{}%
+ \def\X{}%
+ \def\T{}\def\B{}\def\L{}\def\R{}\def\LC{}\def\RC{}%
+ \def\TL{}\def\BL{}\def\TR{}\def\BR{}%
+ \def\LT{}\def\LB{}\def\RT{}\def\RB{}%
+ \def\SL{}\def\SM{}\def\SR{}}
+
+\def\enablechemicalspecials%
+ {\def\+{\dodoublegroupempty\chemicaloxidation{+}}% {} needed!
+ \def\-{\dodoublegroupempty\chemicaloxidation{-}}% {} needed!
+ \def\[{\dodoublegroupempty\chemicalforever {[}}% {} needed!
+ \def\]{\dodoublegroupempty\chemicalforever {]}}% {} needed!
+ \def\1{\chemicaloxidation\relax1}%
+ \def\2{\chemicaloxidation\relax2}%
+ \def\3{\chemicaloxidation\relax3}%
+ \def\4{\chemicaloxidation\relax4}%
+ \def\5{\chemicaloxidation\relax5}%
+ \def\6{\chemicaloxidation\relax6}%
+ \def\7{\chemicaloxidation\relax7}%
+ \def\X{\chemicaltighttext}%
+ \def\T{\chemicaltop}%
+ \def\B{\chemicalbottom}%
+ \def\L{\chemicalleft}%
+ \def\LC{\chemicalleftcentered}%
+ \def\R{\chemicalright}%
+ \def\RC{\chemicalrightcentered}%
+ \def\TL{\chemicaltopleft}%
+ \def\BL{\chemicalbottomleft}%
+ \def\TR{\chemicaltopright}%
+ \def\BR{\chemicalbottomright}%
+ \def\LT{\chemicallefttop}%
+ \def\LB{\chemicalleftbottom}%
+ \def\RT{\chemicalrighttop}%
+ \def\RB{\chemicalrightbottom}%
+ \def\SL{\chemicalsmashedleft}%
+ \def\SM{\chemicalsmashedmiddle}%
+ \def\SR{\chemicalsmashedright}%
+}
+
+% \reversechemical#1#2#3
+%
+% #1: prefix
+% #2: volgnummer enz
+% #3: tegengestelde volgnummers
+
+\def\reversechemical#1#2#3%
+ {\def\doprocess[##1##2]%
+ {\doifchemicalnumber{##1}{#1#2}%
+ {\getfromcommalist[#3][##1]%
+ \let\reversechemicalaction=\commalistelement
+ \processchemical[#1\reversechemicalaction##2]}}%
+ \doprocess[#2]}
+
+% \processunknownchemical[#1????][#2]
+%
+% #1: bindingen enz.
+% #2: atomen enz.
+
+\def\defaultchemical%
+ {SIX}
+
+\def\processunknownchemical[#1????][#2]%
+ {\processaction
+ [#1]
+ [ SAVE=>\executechemicalSAVE,
+ RESTORE=>\executechemicalRESTORE,
+ HIGH=>\sethighsubscripts,
+ LOW=>\setlowsubscripts,
+ \s!default=>,
+ \s!unknown=>\doifdefinedelse{\s!executechemical#1}
+ {\def\chemicalrotation{1}%
+ \def\chemicaloffset{0}%
+ \doifdefined{\s!executechemical#1}
+ {\getvalue{\s!executechemical#1}[#2]}%
+ \@@chemicalpostponed}
+ {\getpredefinedchemical{#1}}]}
+
+\newcount\chemicalstack % tzt \newwounter
+
+\setvalue{\s!chemical\c!x1}{0}
+\setvalue{\s!chemical\c!y1}{0}
+
+\def\executechemicalSAVE
+ {%\writestatus{ppchtex}{saving \the\horchemical,\the\verchemical}%
+ \advance\chemicalstack by 1
+ \letvalue {\s!chemical n\the\chemicalstack}=\chemicalname
+ %\letvalue {\s!chemical p\the\chemicalstack}=\@@chemicalpostponed
+ \setevalue{\s!chemical x\the\chemicalstack}{\the\horchemical}%
+ \setevalue{\s!chemical y\the\chemicalstack}{\the\verchemical}}
+
+\def\restorechemicalvalues#1%
+ {\let\oldprocesschemical=\processchemical
+ \doifdefined{\s!executechemical#1}{\getvalue{\s!executechemical#1}[]}%
+ \let\processchemical=\oldprocesschemical}
+
+\def\executechemicalRESTORE
+ {\ifnum\chemicalstack=0\relax
+ \horchemical=\getvalue{\s!chemical x1}\relax
+ \verchemical=\getvalue{\s!chemical y1}\relax
+ \else
+ \restorechemicalvalues{\getvalue{\s!chemical n\the\chemicalstack}}%
+ %\@EA\let\@EA\@@chemicalpostponed\@EA=\csname\s!chemical p\the\chemicalstack\endcsname
+ \let\@@chemicalpostponed=\relax
+ \horchemical=\getvalue{\s!chemical x\the\chemicalstack}\relax
+ \verchemical=\getvalue{\s!chemical y\the\chemicalstack}\relax
+ \advance\chemicalstack by -1
+ \fi
+ \restorechemicalcoordinates}
+
+% De onderstaande macro's zijn verantwoordelijk voor het zetten
+% van de + en pijlen. De +, en dus ook de pijlen, worden omhoog
+% gehaald. Dit oogt m.i. fraaier.
+
+\def\chemicalinnerclip#1%
+ {{\setbox0=\hbox{#1}\ht0\ht\strutbox\dp0\dp\strutbox\box0}}
+
+\def\chemicalraise#1#2%
+ {\chemicalinnerclip
+ {\setbox0=\hbox{$#1+$}%
+ \raise\dp0\hbox{$#1#2$}}}
+
+\def\chemicalinnersign#1% todo: \@@chemicaltextcolor
+ {\chemicalraise{\@@localchemicalstyle}{#1}}
+
+\def\chemicaloutersign#1%
+ {\chemicalraise{}{\@@dochemicalcolor#1}}
+
+\def\chemicalsingleinnerarrow#1#2%
+ {\chemicalraise{\@@localchemicalstyle}{\longrightarrow}}
+
+\def\chemicaldoubleinnerarrow#1#2% todo: \@@chemicaltextcolor
+ {\chemicalinnerclip
+ {\lower.2ex\hbox
+ {\setbox0=\hbox{$\@@localchemicalstyle\longrightarrow$}%
+ \setbox2=\hbox{$\@@localchemicalstyle\longleftarrow$}%
+ \wd0=0pt\raise\ht0\box0\box2}}}
+
+\def\chemicaltwintipinnerarrow#1#2% todo: \@@chemicaltextcolor
+ {\chemicalinnerclip
+ {\setbox0=\hbox{\chemicalraise{\@@localchemicalstyle}{\longrightarrow}}%
+ \setbox2=\hbox{\chemicalraise{\@@localchemicalstyle}{\longleftarrow}}%
+ \wd0=0pt\box0\box2}}
+
+\def\dochemicalouterarrow#1#2#3%
+ {\bgroup
+ \setbox0=\hbox{$\longrightarrow$}%
+ \setbox2=\hbox{$\@@dochemicalstyle{\scriptstyle\quad#2\quad}$}%
+ \setbox4=\hbox{$\@@dochemicalstyle{\scriptstyle\quad#3\quad}$}%
+ \dimen2=\wd0 % \dimen0 is used elsewhere
+ \ifdim\wd2>\dimen2 \dimen0=\wd2 \fi
+ \ifdim\wd4>\dimen2 \dimen0=\wd4 \fi
+ \chemicaloutermolecule
+ {#1}
+ {\ifdim\ht2>\!!zeropoint\box2\fi} % expands to \empty in test
+ {\ifdim\ht4>\!!zeropoint\box4\fi}% % expands to \empty in test
+ \egroup}
+
+\def\chemicalsingleouterarrow
+ {\dochemicalouterarrow
+ {\hbox to \dimen2{\rightarrowfill}}}
+
+\def\chemicaldoubleouterarrow
+ {\dochemicalouterarrow
+ {\lower.5\ht0\vbox
+ {\offinterlineskip
+ \hbox to \dimen2{\rightarrowfill}
+ \hbox to \dimen2{\leftarrowfill}}}}
+
+\def\chemicaltwintipouterarrow
+ {\dochemicalouterarrow
+ {\hbox
+ {\hbox to \dimen2{\rightarrowfill}%
+ \hskip-\dimen2
+ \hbox to \dimen2{\leftarrowfill}}}}
+
+\def\chemicalinnermolecule#1#2#3% no mathop here, can generate space
+ {\chemicalspace % todo: \@@chemicaltextcolor
+ \chemicalinnerclip
+ {\dosetsubscripts
+ $\@@dochemicalstyle{\@@localchemicalstyle\strut#1}$%
+ \doresetsubscripts}%
+ \chemicalspace}
+
+\def\chemicaloutermolecule#1#2#3%
+ {\chemicalspace
+ \bgroup
+ \@@dochemicalcolor
+ \setbox0=\hbox % else the font is reset
+ {\dosetsubscripts
+ \hbox{$\@@dochemicalstyle{\strut#1}$}%
+ \doresetsubscripts}%
+ \mathop{\box0}%
+ \ifthirdargument
+ \doifnot{#2}{}
+ {^{\@@dochemicalstyle{\strut#2}}}%
+ \doifnot{#3}{}
+ {_{\@@dochemicalstyle{\strut#3}}}%
+ \else
+ \doifnot{#2}{}
+ {_{\@@dochemicalstyle{\strut#2}}}%
+ \fi
+ \egroup
+ \chemicalspace}
+
+\def\chemicalsinglepicturearrow#1%
+ {\lower.5ex\hbox
+ {\@@dochemicalstyle
+ $\chemicalspace
+ \buildrel
+ \@@dochemicalstyle{\scriptstyle\quad#1\quad}%
+ \over{\overrightarrow
+ {\hphantom{\@chemicalstyle{\scriptstyle\quad#1\quad}}}}%
+ \chemicalspace$}}
+
+\def\chemicaldoublepicturearrow#1%
+ {\lower.5ex\hbox
+ {\@@dochemicalstyle
+ $\chemicalspace
+ \buildrel
+ \@@dochemicalstyle{\scriptstyle\quad#1\quad}%
+ \over{\overrightarrow{\overleftarrow
+ {\hphantom{\@@dochemicalstyle{\scriptstyle\quad#1\quad}}}}}%
+ \chemicalspace$}}
+
+% Bij de in-line bindingen wordt gebruik gemaakt van
+% een \hrule. De maatvoering wordt bepaald door een
+% kunstmatige em (\wd0).
+
+\def\somechemicalbond%
+ {\hrule width \wd0 height .4pt}
+
+\def\dochemicalbonds#1#2#3% todo: \@@chemicaltextstyle
+ {{\setbox0=\hbox
+ {${\@@localchemicalstyle M}$}%
+ \vbox to \ht0
+ {\@@dochemicalcolor
+ \hsize\wd0
+ \vskip.1\wd0#1\vfill#2\vfill#3\vskip.1\wd0}}}
+
+\def\singlechemicalbond%
+ {\dochemicalbonds{}{\somechemicalbond}{}}
+
+\def\doublechemicalbond%
+ {\dochemicalbonds{\somechemicalbond}{}{\somechemicalbond}}
+
+\def\triplechemicalbond%
+ {\dochemicalbonds{\somechemicalbond}{\somechemicalbond}{\somechemicalbond}}
+
+% In plaats van \def\naam{\chemie[...]...} kan beter gebruik
+% worden gemaakt van het commando
+%
+% \definieerchemie[naam]{commando's}
+%
+% De naam krijgt, om problemen met bestaande macro's te
+% voorkomen, een prefix. Bij het ophalen van een commando
+% worden beide definities afgehandeld.
+
+\def\dodefinechemical[#1]#2%
+ {\doifdefined{\??chemical#1}
+ {\writestatus{ppchtex}{chemical definition #1 is redefined}}%
+ \setvalue{\??chemical#1}{#2}}
+
+\def\definechemical%
+ {\dosingleargument\dodefinechemical}
+
+\def\getpredefinedchemical#1%
+ {\doifdefinedelse{\??chemical#1}
+ {\getvalue{\??chemical#1}}
+ {\doifdefinedelse{#1}
+ {\getvalue{#1}}
+ {\writestatus{ppchtex}{unknown chemical definition #1}}}}
+
+% Hieronder zijn de definities van de structuren opgenomen. De
+% naam van de structuur is als volgt opgebouwd:
+%
+% \executechemicalNUMBER[#1]
+%
+% waarbij [#1] betrekking heeft op de tekstelementen van \chemie,
+% de [tweede lijst] dus.
+%
+% De aan \chemie[#1][#2] meegegeven lijst van segmenten wordt
+% deels door de in \execute gedefinieerde macro's afgehandeld,
+% deels door algemene macro's. Segmenten hebben de vorm:
+%
+% [+|-|]identifier[X|XYZ|X..Y]
+%
+% Voorbeelden van segmenten zijn:
+%
+% R1
+% R1..4
+% R135
+% -R1
+% +R35
+
+\setchemicalmaximum 0
+
+\def\processchemical[#1]%
+ {\unknownchemical{#1}}
+
+\def\setchemicalname#1 %
+ {\def\chemicalname{#1}}
+
+\let\chemicalname=\s!unknown
+
+% Vooruitlopend op een gedetailleerde documentatie, zijn hier
+% vast enkele gebruikte afmetingen:
+%
+% lengte radikalen : 500
+% afstand radikalen : 100
+% afstand dubbele radikalen : 260
+% afstand substituenten : +125
+
+\def\executechemicalONE[#1]%
+ {\setchemicalname ONE
+ %
+ \setchemicalmaximum 8
+ \setchemicaldistance 0
+ \setchemicalsubstitute 625
+ \setchemicaldirection 303
+ %
+ \setchemicalrotation 1 1 0 1 0 1 0 1 0
+ \setchemicalrotation 2 0.707 -0.707 0.707 -0.707 0.707 -0.707 0.707 -0.707
+ \setchemicalrotation 3 0 -1 0 -1 0 -1 0 -1
+ \setchemicalrotation 4 -0.707 -0.707 -0.707 -0.707 -0.707 -0.707 -0.707 -0.707
+ \setchemicalrotation 5 -1 0 -1 0 -1 0 -1 0
+ \setchemicalrotation 6 -0.707 0.707 -0.707 0.707 -0.707 0.707 -0.707 0.707
+ \setchemicalrotation 7 0 1 0 1 0 1 0 1
+ \setchemicalrotation 8 0.707 0.707 0.707 0.707 0.707 0.707 0.707 0.707
+ %
+ \setchemicalangle 1 0 90 180 270
+ \setchemicalangle 2 45 135 225 315
+ \setchemicalangle 3 90 180 270 0
+ \setchemicalangle 4 135 225 315 45
+ \setchemicalangle 5 180 270 0 90
+ \setchemicalangle 6 225 315 45 135
+ \setchemicalangle 7 270 0 90 180
+ \setchemicalangle 8 315 45 135 225
+ %
+ \setchemicaltranslate 1 -1000 0
+ \setchemicaltranslate 2 -1000 1000
+ \setchemicaltranslate 3 0 1000
+ \setchemicaltranslate 4 1000 1000
+ \setchemicaltranslate 5 1000 0
+ \setchemicaltranslate 6 1000 -1000
+ \setchemicaltranslate 7 0 -1000
+ \setchemicaltranslate 8 -1000 -1000
+ %
+ \setchemicallinesegment SB 300 0 700 0
+ \setchemicallinesegment DB1 300 50 700 50
+ \setchemicallinesegment DB2 300 -50 700 -50
+ %
+ %setchemicallinesegment EP 200 125 200 -125
+ \setchemicalfactorlinesegment EP 200 125 200 -125
+ %
+ \setchemicaltextelement ES 200 0
+ \setchemicaltextelement ED1 200 50
+ \setchemicaltextelement ED2 200 -50
+ \setchemicaltextelement ET1 200 75
+ \setchemicaltextelement ET2 200 0
+ \setchemicaltextelement ET3 200 -75
+ \setchemicaltextelement HB1 300 0
+ \setchemicaltextelement HB2 475 0
+ \setchemicaltextelement HB3 650 0
+ %
+ \setchemicaltextelement Z 800 0
+ \setchemicaltextelement RZ 950 0
+ \setchemicaltextelement ZN 500 0
+ \setchemicaltextelement ZTN 500 150
+ \setchemicaltextelement ZBN 500 -150
+ %
+ \def\processchemical[##1##2##3##4##5]%
+ {\doprocesschemical[##1##2##3##4##5]
+ {\processaction
+ [##1##2##3##4##5]
+ [ PB:##4##5=>\beginchemicalpicture{##4##5},
+ PE????=>\endchemicalpicture,
+ SUB##4##5=>\processchemicalsubstitute{##4##5},
+ ADJ##4##5=>\processchemicaldistance{##4##5},
+ MOV##4##5=>\processchemicaltranslate{##4##5},
+ DIR##4##5=>\processchemicaldirection{##4##5},
+ OFF##4##5=>\processchemicaloffset{##4##5},
+ CCD##4##5=>\processchemicaldottsegment{CC}{##4##5},
+ LDD##4##5=>\processchemicaldashedlinesegment{DB1}{##4##5}%
+ \processchemicallinesegment{DB2}{##4##5},
+ RDD##4##5=>\processchemicallinesegment{DB1}{##4##5}%
+ \processchemicaldashedlinesegment{DB2}{##4##5},
+ OF##3:##5=>\processchemicalphantom{##3}{##5},
+ OE##3##4##5=>\processchemicalopenend{OE}{##3##4##5},
+ EP##3##4##5=>\processchemicallinesegment{EP}{##3##4##5},
+ ES##3##4##5=>\processchemicaltextconstant{ES}{##3##4##5}{\hbox{$\cdot$}}{0},
+ ED##3##4##5=>\processchemicaltextconstant{ED}{##3##4##5}{\hbox{$\cdot$}}{0},
+ ET##3##4##5=>\processchemicaltextconstant{ET}{##3##4##5}{\hbox{$\cdot$}}{0},
+ HB##3##4##5=>\processchemicaltextconstant{HB}{##3##4##5}{\hbox{$\cdot$}}{0},
+ SB##3##4##5=>\processchemicallinesegment{SB}{##3##4##5},
+ DB##3##4##5=>\processchemicallinesegment{DB}{##3##4##5},
+ SB##3##4##5=>\processchemicallinesegment{SB}{##3##4##5},
+ BB##3##4##5=>\processchemicaldeltalinesegment{SB}{##3##4##5},
+ BD##3##4##5=>\processchemicaldasheddeltalinesegment{SB}{##3##4##5},
+ BW##3##4##5=>\processchemicalwavylinesegment{SB}{##3##4##5},
+ SD##3##4##5=>\processchemicaldashedlinesegment{SB}{##3##4##5},
+ TB##3##4##5=>\processchemicallinesegment{SB}{##3##4##5}%
+ \processchemicallinesegment{DB}{##3##4##5},
+ CZ##3##4##5=>\processchemicaltextelement{RZ}{##3##4##5}{#1}{0}{},
+ ZTN##4##5=>\processchemicalsmalltextconstant{ZTN}{##4##5}{\chemicaltextelementnumber}{0},
+ ZTT##4##5=>\processchemicalsmalltextelement{ZTN}{##4##5}{#1}{0}{},
+ ZBN##4##5=>\processchemicalsmalltextconstant{ZBN}{##4##5}{\chemicaltextelementnumber}{0},
+ ZBT##4##5=>\processchemicalsmalltextelement{ZBN}{##4##5}{#1}{0}{},
+ ZN##3##4##5=>\processchemicaltextconstant{ZN}{##3##4##5}{\chemicaltextelementnumber}{0},
+ ZT##3##4##5=>\processchemicaltextelement{ZN}{##3##4##5}{#1}{0}{},
+ Z##2##3##4##5=>\processchemicaltextelement{Z}{##2##3##4##5}{#1}{0}
+ {l,l,t,r,r,r,b,l},
+ \s!unknown=>\unknownchemical{##1##2##3##4##5}]}}}
+
+\def\executechemicalTHREE[#1]%
+ {\setchemicalname THREE
+ %
+ \setchemicalmaximum 3
+ \setchemicaldistance 289
+ \setchemicalsubstitute 952
+ %
+ \setchemicalrotation 1 1 0 0 -1 -1 0 0 1
+ \setchemicalrotation 2 -0.5 -0.866 -0.866 0.5 0.5 0.866 0.866 -0.5
+ \setchemicalrotation 3 -0.5 0.866 0.866 0.5 0.5 -0.866 -0.866 -0.5
+ %
+ \setchemicalangle 1 0 90 180 270
+ \setchemicalangle 2 120 210 300 30
+ \setchemicalangle 3 240 330 60 150
+ %
+ \setchemicaltranslate 1 -1000 0
+ \setchemicaltranslate 2 0 1000
+ \setchemicaltranslate 3 1000 0
+ \setchemicaltranslate 4 0 -1000
+ %
+ \setchemicallinesegment B 577 0 -289 -500
+ \setchemicallinesegment SB 352 -130 -64 -370
+ \setchemicallinesegment -SB 352 -130 -289 -500
+ \setchemicallinesegment +SB 577 0 -64 -370
+ \setchemicallinesegment DB1 327 -87 -89 -327
+ \setchemicallinesegment DB2 377 -172 -39 -413
+ \setchemicallinesegment R 577 0 1077 0
+ \setchemicallinesegment -R 577 0 1010 250
+ \setchemicallinesegment +R 577 0 1010 -250
+ \setchemicallinesegment ER1 577 50 1077 50
+ \setchemicallinesegment ER2 577 -50 1077 -50
+ \setchemicallinesegment SR 837 0 1077 0
+ \setchemicallinesegment -SR 802 130 1010 250
+ \setchemicallinesegment +SR 802 -130 1010 -250
+ \setchemicallinesegment DR1 837 50 1077 50
+ \setchemicallinesegment DR2 837 -50 1077 -50
+ %
+ \setchemicaltextelement Z 577 0
+ \setchemicaltextelement RZ 1177 0
+ \setchemicaltextelement -RZ 1097 300
+ \setchemicaltextelement +RZ 1097 -300
+ \setchemicaltextelement CRZ 1077 0
+ %
+ \def\processchemical[##1##2##3##4]%
+ {\processaction
+ [##1##2##3##4]
+ [ ROT##4=>\processchemicalrotation{##4},
+ MOV##4=>\processchemicaltranslate{##4},
+ SUB##4=>\processchemicalsubstitute{##4},
+ ADJ##4=>\processchemicaldistance{##4},
+ -RZ##4=>\processchemicaltextelement{-RZ}{##4}{#1}{3}
+ {l,t,r, l,r,l, r,b,l, r,l,r},
+ +RZ##4=>\processchemicaltextelement{+RZ}{##4}{#1}{3}
+ {l,r,b, r,r,l, r,l,t, l,l,r},
+ -SB##4=>\processchemicallinesegment{-SB}{##4},
+ +SB##4=>\processchemicallinesegment{+SB}{##4},
+ -SR##4=>\processchemicallinesegment{-SR}{##4},
+ +SR##4=>\processchemicallinesegment{+SR}{##4},
+ CRZ##4=>\processchemicaltextelement{CRZ}{##4}{#1}{0}
+ {},
+ DB##3##4=>\processchemicallinesegment{DB}{##3##4},
+ DR##3##4=>\processchemicallinesegment{DR}{##3##4},
+ RZ##3##4=>\processchemicaltextelement{RZ}{##3##4}{#1}{3}
+ {l,r,r, t,r,l, r,l,l, b,l,r},
+ ER##3##4=>\processchemicallinesegment{ER}{##3##4},
+ SB##3##4=>\processchemicallinesegment{SB}{##3##4},
+ SR##3##4=>\processchemicallinesegment{SR}{##3##4},
+ -R##3##4=>\processchemicallinesegment{-R}{##3##4},
+ +R##3##4=>\processchemicallinesegment{+R}{##3##4},
+ B##2##3##4=>\processchemicallinesegment{B}{##2##3##4},
+ R##2##3##4=>\processchemicallinesegment{R}{##2##3##4},
+ Z##2##3##4=>\processchemicaltextelement{Z}{##2##3##4}{#1}{0}{},
+ \s!unknown=>\unknownchemical{##1##2##3##4}]}}
+
+\def\executechemicalFOUR[#1]%
+ {\setchemicalname FOUR
+ %
+ \setchemicalmaximum 4
+ \setchemicaldistance 500
+ \setchemicalsubstitute 0
+ %
+ \setchemicalrotation 1 1 0 0 -1 -1 0 0 1
+ \setchemicalrotation 2 0 -1 -1 0 0 1 1 0
+ \setchemicalrotation 3 -1 0 0 1 1 0 0 -1
+ \setchemicalrotation 4 0 1 1 0 0 -1 -1 0
+ %
+ \setchemicalangle 1 0 90 180 270
+ \setchemicalangle 2 90 180 270 0
+ \setchemicalangle 3 180 270 0 90
+ \setchemicalangle 4 270 0 90 180
+ %
+ \setchemicaltranslate 1 -1000 0
+ \setchemicaltranslate 2 0 1000
+ \setchemicaltranslate 3 1000 0
+ \setchemicaltranslate 4 0 -1000
+ %
+ \setchemicallinesegment B 500 500 500 -500
+ \setchemicallinesegment SB 500 240 500 -240
+ \setchemicallinesegment -SB 500 240 500 -500
+ \setchemicallinesegment +SB 500 500 500 -240
+ \setchemicallinesegment DB1 450 240 450 -240
+ \setchemicallinesegment DB2 550 240 550 -240
+ \setchemicallinesegment EB 360 300 360 -300
+ \setchemicallinesegment R 500 500 854 854
+ \setchemicallinesegment -R 500 500 500 1000
+ \setchemicallinesegment +R 500 500 1000 500
+ \setchemicallinesegment ER1 465 535 819 889
+ \setchemicallinesegment ER2 535 465 889 819
+ \setchemicallinesegment SR 684 684 854 854
+ \setchemicallinesegment -SR 500 760 500 1000
+ \setchemicallinesegment +SR 760 500 1000 500
+ \setchemicallinesegment DR1 649 719 819 889
+ \setchemicallinesegment DR2 719 649 889 819
+ %
+ \setchemicaltextelement Z 500 500
+ \setchemicaltextelement RZ 925 925
+ \setchemicaltextelement -RZ 500 1100
+ \setchemicaltextelement +RZ 1100 500
+ \setchemicaltextelement CRZ 1038 1038
+ %
+ \setchemicaltextelement ZN 350 350
+ %
+ \def\processchemical[##1##2##3##4]%
+ {\processaction
+ [##1##2##3##4]
+ [ PB:##4=>\beginchemicalpicture{##4},
+ PE????=>\endchemicalpicture,
+ ROT##4=>\processchemicalrotation{##4},
+ SUB##4=>\processchemicalsubstitute{##4},
+ ADJ##4=>\processchemicaldistance{##4},
+ MOV##4=>\processchemicaltranslate{##4},
+ -RZ##4=>\processchemicaltextelement{-RZ}{##4}{#1}{4}
+ {b,l,t,r, l,t,r,b, t,r,b,l, r,b,l,t},
+ +RZ##4=>\processchemicaltextelement{+RZ}{##4}{#1}{4}
+ {l,t,r,b, t,r,b,l, r,b,l,t, b,l,t,r},
+ -SB##4=>\processchemicallinesegment{-SB}{##4},
+ +SB##4=>\processchemicallinesegment{+SB}{##4},
+ -SR##4=>\processchemicallinesegment{-SR}{##4},
+ +SR##4=>\processchemicallinesegment{+SR}{##4},
+ CRZ##4=>\processchemicaltextelement{CRZ}{##4}{#1}{0}{},
+ ZN##3##4=>\processchemicaltextconstant{ZN}{##3##4}{\chemicaltextelementnumber}{0},
+ ZT##3##4=>\processchemicaltextelement{ZN}{##3##4}{#1}{0}{},
+ DB##3##4=>\processchemicallinesegment{DB}{##3##4},
+ DR##3##4=>\processchemicallinesegment{DR}{##3##4},
+ EB##3##4=>\processchemicallinesegment{EB}{##3##4},
+ ER##3##4=>\processchemicallinesegment{ER}{##3##4},
+ RZ##3##4=>\processchemicaltextelement{RZ}{##3##4}{#1}{4}
+ {lb,lt,rt,rb, lt,rt,rb,lb, rt,rb,lb,lt, rb,lb,lt,rt},
+ SB##3##4=>\processchemicallinesegment{SB}{##3##4},
+ SR##3##4=>\processchemicallinesegment{SR}{##3##4},
+ -R##3##4=>\processchemicallinesegment{-R}{##3##4},
+ +R##3##4=>\processchemicallinesegment{+R}{##3##4},
+ B##2##3##4=>\processchemicallinesegment{B}{##2##3##4},
+ R##2##3##4=>\processchemicallinesegment{R}{##2##3##4},
+ Z##2##3##4=>\processchemicaltextelement{Z}{##2##3##4}{#1}{0}{},
+ \s!unknown=>\unknownchemical{##1##2##3##4}]}}
+
+\def\executechemicalFIVE[#1]%
+ {\setchemicalname FIVE
+ %
+ \setchemicalmaximum 5
+ \setchemicaldistance 688
+ \setchemicalsubstitute 1226
+ %
+ \setchemicalrotation 1 1 0 0 -1 -1 0 0 1
+ \setchemicalrotation 2 0.309 -0.951 -0.951 -0.309 -0.309 0.940 0.951 0.309
+ \setchemicalrotation 3 -0.809 -0.588 -0.588 0.809 0.809 0.588 0.588 -0.809
+ \setchemicalrotation 4 -0.809 0.588 0.588 0.809 0.809 -0.588 -0.588 -0.809
+ \setchemicalrotation 5 0.309 0.951 0.951 -0.309 -0.309 -0.951 -0.951 0.309
+ %
+ \setchemicalangle 1 0 90 180 270
+ \setchemicalangle 2 72 162 252 342
+ \setchemicalangle 3 144 234 324 54
+ \setchemicalangle 4 216 306 36 126
+ \setchemicalangle 5 288 18 108 198
+ %
+ \setchemicaltranslate 1 -1376 0
+ \setchemicaltranslate 2 -425 1304
+ \setchemicaltranslate 3 1113 809
+ \setchemicaltranslate 4 1113 -809
+ \setchemicaltranslate 5 -425 -1304
+ %
+ \setchemicallinesegment A 1188 500 1188 -500
+ \setchemicallinesegment B 688 500 688 -500
+ \setchemicallinesegment S -263 808 688 -500
+ \setchemicallinesegment SS -116 606 541 -298
+ \setchemicallinesegment -SS -263 808 541 -298
+ \setchemicallinesegment +SS -116 606 688 -500
+ \setchemicallinesegment SB 688 240 688 -240
+ \setchemicallinesegment -SB 688 240 688 -500
+ \setchemicallinesegment +SB 688 500 688 -240
+ \setchemicallinesegment DB1 638 240 638 -240
+ \setchemicallinesegment DB2 738 240 738 -240
+ \setchemicallinesegment EB 548 340 548 -340
+ \setchemicallinesegment R 688 500 1093 794
+ \setchemicallinesegment -R 688 500 688 1000
+ \setchemicallinesegment +R 688 500 1163 345
+ \setchemicallinesegment ER1 659 540 1064 834
+ \setchemicallinesegment ER2 727 460 1122 754
+ \setchemicallinesegment SR 898 653 1093 794
+ \setchemicallinesegment -SR 688 760 688 1000
+ \setchemicallinesegment +SR 935 420 1163 345
+ \setchemicallinesegment DR1 869 693 1064 834
+ \setchemicallinesegment DR2 927 613 1122 754
+ %
+ \setchemicaltextelement Z 688 500
+ \setchemicaltextelement RZ 1188 863
+ \setchemicaltextelement -RZ 688 1100
+ \setchemicaltextelement +RZ 1258 315
+ \setchemicaltextelement CRZ 1323 947
+ %
+ \setchemicalcircsegment C -36 36 590 72 475 -345
+ \setchemicalcircsegment CC -72 0 590 72 182 -561
+ %
+ \setchemicaltextelement ZN 468 350
+ \setchemicaltextelement RN 860 625 % 1.25 Z
+ \setchemicaltextelement RTN 785 728 % .12 / 103 75
+ \setchemicaltextelement RBN 935 522
+ %
+ \def\processchemical[##1##2##3##4]%
+ {\processaction
+ [##1##2##3##4]
+ [ FRONT????=>{\executechemicalFIVEFRONT[#1]},
+ PB:##4=>\beginchemicalpicture{##4},
+ PE????=>\endchemicalpicture,
+ ROT##4=>\processchemicalrotation{##4},
+ SUB##4=>\processchemicalsubstitute{##4},
+ ADJ##4=>\processchemicaldistance{##4},
+ MOV##4=>\processchemicaltranslate{##4},
+ -RZ##4=>\processchemicaltextelement{-RZ}{##4}{#1}{5}
+ {b,l,t,r,r, l,t,r,r,l, t,r,r,l,l, r,b,l,t,r},
+ +RZ##4=>\processchemicaltextelement{+RZ}{##4}{#1}{5}
+ {l,t,r,r,b, t,r,r,l,l, r,r,l,l,r, b,l,l,r,r},
+ -SB##4=>\processchemicallinesegment{-SB}{##4},
+ +SB##4=>\processchemicallinesegment{+SB}{##4},
+ -SR##4=>\processchemicallinesegment{-SR}{##4},
+ +SR##4=>\processchemicallinesegment{+SR}{##4},
+ -RD##4=>\processchemicaldashedlinesegment{-R}{##4},
+ +RD##4=>\processchemicaldashedlinesegment{+R}{##4},
+ -RB##4=>\processchemicaldeltalinesegment{-R}{##4},
+ +RB##4=>\processchemicaldeltalinesegment{+R}{##4},
+ CRZ##4=>\processchemicaltextelement{CRZ}{##4}{#1}{0}{},
+ RTN##4=>\processchemicaltextconstant{RTN}{##4}{\chemicaltextelementnumber}{0},
+ RTT##4=>\processchemicaltextelement{RTN}{##4}{#1}{0}{},
+ RBN##4=>\processchemicaltextconstant{RBN}{##4}{\chemicaltextelementnumber}{0},
+ RBT##4=>\processchemicaltextelement{RBN}{##4}{#1}{0}{},
+ -SS##4=>\processchemicallinesegment{-SS}{##4},
+ +SS##4=>\processchemicallinesegment{+SS}{##4},
+ CCD##4=>\processchemicaldottsegment{CC}{##4},
+ SS##3##4=>\processchemicallinesegment{SS}{##3##4},
+ RD##3##4=>\processchemicaldashedlinesegment{R}{##3##4},
+ RB##3##4=>\processchemicaldeltalinesegment{R}{##3##4},
+ ZN##3##4=>\processchemicaltextconstant{ZN}{##3##4}{\chemicaltextelementnumber}{0},
+ ZT##3##4=>\processchemicaltextelement{ZN}{##3##4}{#1}{0}{},
+ RN##3##4=>\processchemicaltextconstant{RN}{##3##4}{\chemicaltextelementnumber}{0},
+ RT##3##4=>\processchemicaltextelement{RN}{##3##4}{#1}{0}{},
+ AU##3##4=>\processchemicaluparrowsegment{A}{##3##4},
+ AD##3##4=>\processchemicaldownarrowsegment{A}{##3##4},
+ CC##3##4=>\processchemicalcircsegment{CC}{##3##4},
+ CD##3##4=>\processchemicaldottsegment{C}{##3##4},
+ DB##3##4=>\processchemicallinesegment{DB}{##3##4},
+ DR##3##4=>\processchemicallinesegment{DR}{##3##4},
+ EB##3##4=>\processchemicallinesegment{EB}{##3##4},
+ ER##3##4=>\processchemicallinesegment{ER}{##3##4},
+ RZ##3##4=>\processchemicaltextelement{RZ}{##3##4}{#1}{5}
+ {l,l,r,r,r, l,r,r,b,l, r,r,b,l,t, r,l,l,t,r},
+ SB##3##4=>\processchemicallinesegment{SB}{##3##4},
+ SR##3##4=>\processchemicallinesegment{SR}{##3##4},
+ -R##3##4=>\processchemicallinesegment{-R}{##3##4},
+ +R##3##4=>\processchemicallinesegment{+R}{##3##4},
+ B##2##3##4=>\processchemicallinesegment{B}{##2##3##4},
+ C##2##3##4=>\processchemicalcircsegment{C}{##2##3##4},
+ R##2##3##4=>\processchemicallinesegment{R}{##2##3##4},
+ S##2##3##4=>\processchemicallinesegment{S}{##2##3##4},
+ Z##2##3##4=>\processchemicaltextelement{Z}{##2##3##4}{#1}{0}{},
+ \s!unknown=>\unknownchemical{##1##2##3##4}]}}
+
+\def\executechemicalSIX[#1]%
+ {\setchemicalname SIX
+ %
+ \setchemicalmaximum 6
+ \setchemicalsubstitute 1375
+ \setchemicaldistance 866
+ %
+ \setchemicalrotation 1 1 0 0 -1 -1 0 0 1
+ \setchemicalrotation 2 0.5 -0.866 -0.866 -0.5 -0.5 0.866 0.866 0.5
+ \setchemicalrotation 3 -0.5 -0.866 -0.866 0.5 0.5 0.866 0.866 -0.5
+ \setchemicalrotation 4 -1 0 0 1 1 0 0 -1
+ \setchemicalrotation 5 -0.5 0.866 0.866 0.5 0.5 -0.866 -0.866 -0.5
+ \setchemicalrotation 6 0.5 0.866 0.866 -0.5 -0.5 -0.866 -0.866 0.5
+ %
+ \setchemicalangle 1 0 90 180 270
+ \setchemicalangle 2 60 150 240 330
+ \setchemicalangle 3 120 210 300 30
+ \setchemicalangle 4 180 270 0 90
+ \setchemicalangle 5 240 330 60 150
+ \setchemicalangle 6 300 30 120 210
+ %
+ \setchemicaltranslate 1 -1732 0
+ \setchemicaltranslate 2 -866 1500
+ \setchemicaltranslate 3 866 1500
+ \setchemicaltranslate 4 1732 0
+ \setchemicaltranslate 5 866 -1500
+ \setchemicaltranslate 6 -866 -1500
+ %
+ \setchemicallinesegment A 1386 500 1386 -500
+ \setchemicallinesegment S 0 1000 866 -500
+ \setchemicallinesegment SS 125 783 741 -283
+ \setchemicallinesegment -SS 0 1000 741 -283
+ \setchemicallinesegment +SS 125 783 866 -500
+ \setchemicallinesegment B 866 500 866 -500
+ \setchemicallinesegment SB 866 240 866 -240
+ \setchemicallinesegment -SB 866 240 866 -500
+ \setchemicallinesegment +SB 866 500 866 -240
+ \setchemicallinesegment DB1 816 240 816 -240
+ \setchemicallinesegment DB2 916 240 916 -240
+ \setchemicallinesegment EB 726 340 726 -340
+ \setchemicallinesegment R 866 500 1299 750
+ \setchemicallinesegment -R 866 500 866 1000
+ \setchemicallinesegment +R 866 500 1299 250
+ \setchemicallinesegment ER1 841 543 1274 793
+ \setchemicallinesegment ER2 891 457 1324 707
+ \setchemicallinesegment SR 1091 630 1299 750
+ \setchemicallinesegment -SR 866 740 866 1000
+ \setchemicallinesegment +SR 1091 370 1299 250
+ \setchemicallinesegment DR1 1066 673 1274 793
+ \setchemicallinesegment DR2 1116 588 1324 707
+ \setchemicallinesegment MID1 0 1000 -150 200
+ \setchemicallinesegment MID2 0 -1000 -150 -200
+ \setchemicallinesegment MIDS1 0 1000 -180 0
+ \setchemicallinesegment MIDS2 0 -1000 -180 0
+ %
+ \setchemicalcircsegment C -30 30 700 60 600 -346
+ \setchemicalcircsegment CC -60 0 700 60 350 -606
+ %
+ \setchemicaltextelement Z 866 500
+ \setchemicaltextelement RZ 1386 800
+ \setchemicaltextelement -RZ 866 1100
+ \setchemicaltextelement +RZ 1386 200
+ \setchemicaltextelement CRZ 1524 880
+ \setchemicaltextelement MIDZ -150 0
+ %
+ \setchemicaltextelement ZN 589 350
+ \setchemicaltextelement RN 1083 625 % 1.25 Z
+ \setchemicaltextelement RTN 1008 755 % .12 / 130 75
+ \setchemicaltextelement RBN 1158 495
+ %
+ \def\processchemical[##1##2##3##4##5]%
+ {\processaction
+ [##1##2##3##4##5]
+ [ FRONT????=>{\executechemicalSIXFRONT[#1]},
+ MID????=>\processchemicallinesegment{MID}{1????},
+ MIDS????=>\processchemicallinesegment{MIDS}{1????},
+ MIDZ????=>\processchemicaltextelement{MIDZ}{1????}{#1}{0}{},
+ PB:##4##5=>\beginchemicalpicture{##4##5},
+ PE????=>\endchemicalpicture,
+ ROT##4##5=>\processchemicalrotation{##4##5},
+ SUB##4##5=>\processchemicalsubstitute{##4##5},
+ ADJ##4##5=>\processchemicaldistance{##4##5},
+ MOV##4##5=>\processchemicaltranslate{##4##5},
+ -RZ##4##5=>\processchemicaltextelement{-RZ}{##4##5}{#1}{6}
+ {b,l,l,t,r,r, l,l,r,r,r,l, t,r,r,b,l,l, r,r,l,l,l,r},
+ +RZ##4##5=>\processchemicaltextelement{+RZ}{##4##5}{#1}{6}
+ {l,t,r,r,b,l, r,r,r,l,l,l, r,b,l,l,t,r, l,l,l,r,r,r},
+ -SB##4##5=>\processchemicallinesegment{-SB}{##4##5},
+ +SB##4##5=>\processchemicallinesegment{+SB}{##4##5},
+ -SR##4##5=>\processchemicallinesegment{-SR}{##4##5},
+ +SR##4##5=>\processchemicallinesegment{+SR}{##4##5},
+ -RD##4##5=>\processchemicaldashedlinesegment{-R}{##4##5},
+ +RD##4##5=>\processchemicaldashedlinesegment{+R}{##4##5},
+ -RB##4##5=>\processchemicaldeltalinesegment{-R}{##4##5},
+ +RB##4##5=>\processchemicaldeltalinesegment{+R}{##4##5},
+ CRZ##4##5=>\processchemicaltextelement{CRZ}{##4##5}{#1}{0}{},
+ -SS##4##5=>\processchemicallinesegment{-SS}{##4##5},
+ +SS##4##5=>\processchemicallinesegment{+SS}{##4##5},
+ CCD##4##5=>\processchemicaldottsegment{CC}{##4##5},
+RTN##4##5=>\processchemicaltextconstant{RTN}{##4##5}{\chemicaltextelementnumber}{0},
+RTT##4##5=>\processchemicaltextelement{RTN}{##4##5}{#1}{0}{},
+RBN##4##5=>\processchemicaltextconstant{RBN}{##4##5}{\chemicaltextelementnumber}{0},
+RBT##4##5=>\processchemicaltextelement{RBN}{##4##5}{#1}{0}{},
+ SS##3##4##5=>\processchemicallinesegment{SS}{##3##4##5},
+ RD##3##4##5=>\processchemicaldashedlinesegment{R}{##3##4##5},
+ RB##3##4##5=>\processchemicaldeltalinesegment{R}{##3##4##5},
+ ZN##3##4##5=>\processchemicaltextconstant{ZN}{##3##4##5}{\chemicaltextelementnumber}{0},
+ ZT##3##4##5=>\processchemicaltextelement{ZN}{##3##4##5}{#1}{0}{},
+RN##3##4##5=>\processchemicaltextconstant{RN}{##3##4##5}{\chemicaltextelementnumber}{0},
+RT##3##4##5=>\processchemicaltextelement{RN}{##3##4##5}{#1}{0}{},
+ AU##3##4##5=>\processchemicaluparrowsegment{A}{##3##4##5},
+ AD##3##4##5=>\processchemicaldownarrowsegment{A}{##3##4##5},
+ CD##3##4##5=>\processchemicaldottsegment{C}{##3##4##5},
+ CC##3##4##5=>\processchemicalcircsegment{CC}{##3##4##5},
+ DB##3##4##5=>\processchemicallinesegment{DB}{##3##4##5},
+ EB##3##4##5=>\processchemicallinesegment{EB}{##3##4##5},
+ ER##3##4##5=>\processchemicallinesegment{ER}{##3##4##5},
+ RZ##3##4##5=>\processchemicaltextelement{RZ}{##3##4##5}{#1}{6}
+ {l,l,t,r,r,b, l,r,r,r,l,l, r,r,b,l,l,t, r,l,l,l,r,r},
+ SB##3##4##5=>\processchemicallinesegment{SB}{##3##4##5},
+ SR##3##4##5=>\processchemicallinesegment{SR}{##3##4##5},
+ DR##3##4##5=>\processchemicallinesegment{DR}{##3##4##5},
+ -R##3##4##5=>\processchemicallinesegment{-R}{##3##4##5},
+ +R##3##4##5=>\processchemicallinesegment{+R}{##3##4##5},
+ B##2##3##4##5=>\processchemicallinesegment{B}{##2##3##4##5},
+ C##2##3##4##5=>\processchemicalcircsegment{C}{##2##3##4##5},
+ R##2##3##4##5=>\processchemicallinesegment{R}{##2##3##4##5},
+ S##2##3##4##5=>\processchemicallinesegment{S}{##2##3##4##5},
+ Z##2##3##4##5=>\processchemicaltextelement{Z}{##2##3##4##5}{#1}{0}{},
+ \s!unknown=>\unknownchemical{##1##2##3##4##5}]}}
+
+\def\executechemicalSEVEN[#1]% incomplete !
+ {\setchemicalname SEVEN
+ %
+ \setchemicalmaximum 7
+ \setchemicalsubstitute -
+ \setchemicaldistance 1038
+ %
+ \setchemicalrotation 1 .623 .782 - - - - - -
+ \setchemicalrotation 2 -.223 .975 - - - - - -
+ \setchemicalrotation 3 -.901 .434 - - - - - -
+ \setchemicalrotation 4 -.901 -.434 - - - - - -
+ \setchemicalrotation 5 -.223 -.975 - - - - - -
+ \setchemicalrotation 6 .623 -.782 - - - - - -
+ \setchemicalrotation 7 1 0 - - - - - -
+ %
+ \setchemicalangle 1 0 - - -
+ \setchemicalangle 2 51.429 - - -
+ \setchemicalangle 3 102.857 - - -
+ \setchemicalangle 4 154.286 - - -
+ \setchemicalangle 5 205.714 - - -
+ \setchemicalangle 6 257.143 - - -
+ \setchemicalangle 7 308.571 - - -
+ %
+ \setchemicaltranslate 1 - -
+ \setchemicaltranslate 2 - -
+ \setchemicaltranslate 3 - -
+ \setchemicaltranslate 4 - -
+ \setchemicaltranslate 5 - -
+ \setchemicaltranslate 6 - -
+ \setchemicaltranslate 7 - -
+ %
+ \setchemicallinesegment B 1038 500 1038 -500
+ \setchemicallinesegment SB 1038 240 1038 -240
+ \setchemicallinesegment -SB 1038 240 1038 -500
+ \setchemicallinesegment +SB 1038 500 1038 -240
+ %
+ \setchemicaltextelement Z 1038 500
+ %
+ \def\processchemical[##1##2##3##4##5]%
+ {\processaction
+ [##1##2##3##4##5]
+ [ PB:##4##5=>\beginchemicalpicture{##4##5},
+ PE????=>\endchemicalpicture,
+ %ROT##4##5=>\processchemicalrotation{##4},
+ %SUB##4##5=>\processchemicalsubstitute{##4##5},
+ %ADJ##4##5=>\processchemicaldistance{##4##5},
+ %MOV##4##5=>\processchemicaltranslate{##4##5},
+ -SB##4##5=>\processchemicallinesegment{-SB}{##4##5},
+ +SB##4##5=>\processchemicallinesegment{+SB}{##4##5},
+ SB##3##4##5=>\processchemicallinesegment{SB}{##3##4##5},
+ B##2##3##4##5=>\processchemicallinesegment{B}{##2##3##4##5},
+ Z##2##3##4##5=>\processchemicaltextelement{Z}{##2##3##4##5}{#1}{0}{},
+ \s!unknown=>\unknownchemical{##1##2##3##4##5}]}}
+
+\def\executechemicalEIGHT[#1]% incomplete !
+ {\setchemicalname EIGHT
+ %
+ \setchemicalmaximum 8
+ %\setchemicalsubstitute 1307
+ \setchemicaldistance 1207
+ %
+ \setchemicalrotation 1 .707 .707 - - - - - -
+ \setchemicalrotation 2 0 1 - - - - - -
+ \setchemicalrotation 3 -.707 .707 - - - - - -
+ \setchemicalrotation 4 -1 0 - - - - - -
+ \setchemicalrotation 5 -.707 -.707 - - - - - -
+ \setchemicalrotation 6 0 -1 - - - - - -
+ \setchemicalrotation 7 .707 -.707 - - - - - -
+ \setchemicalrotation 8 1 0 - - - - - -
+ %
+ \setchemicalangle 1 45 - - -
+ \setchemicalangle 2 90 - - -
+ \setchemicalangle 3 135 - - -
+ \setchemicalangle 4 180 - - -
+ \setchemicalangle 5 225 - - -
+ \setchemicalangle 6 270 - - -
+ \setchemicalangle 7 315 - - -
+ \setchemicalangle 8 0 - - -
+ %
+ \setchemicaltranslate 1 -2414 0
+ \setchemicaltranslate 2 -1706 1706
+ \setchemicaltranslate 3 0 2414
+ \setchemicaltranslate 4 1706 1706
+ \setchemicaltranslate 5 2414 0
+ \setchemicaltranslate 6 1706 -1706
+ \setchemicaltranslate 7 0 -2414
+ \setchemicaltranslate 8 -1706 -1706
+ %
+ \setchemicallinesegment B 1207 500 1207 -500
+ \setchemicallinesegment SB 1207 240 1207 -240
+ \setchemicallinesegment -SB 1207 240 1207 -500
+ \setchemicallinesegment +SB 1207 500 1207 -240
+ %
+ \setchemicaltextelement Z 1207 500
+ %
+ \def\processchemical[##1##2##3##4##5]%
+ {\processaction
+ [##1##2##3##4##5]
+ [ PB:##4##5=>\beginchemicalpicture{##4##5},
+ PE????=>\endchemicalpicture,
+ %SUB##4##5=>\processchemicalsubstitute{##4##5},
+ ADJ##4##5=>\processchemicaldistance{##4##5},
+ MOV##4##5=>\processchemicaltranslate{##4##5},
+ -SB##4##5=>\processchemicallinesegment{-SB}{##4##5},
+ +SB##4##5=>\processchemicallinesegment{+SB}{##4##5},
+ SB##3##4##5=>\processchemicallinesegment{SB}{##3##4##5},
+ B##2##3##4##5=>\processchemicallinesegment{B}{##2##3##4##5},
+ Z##2##3##4##5=>\processchemicaltextelement{Z}{##2##3##4##5}{#1}{0}{},
+ \s!unknown=>\unknownchemical{##1##2##3##4##5}]}}
+
+\def\executechemicalFIVEFRONT[#1]%
+ {\executechemicalFIVE[]%
+ %
+ \setchemicalname FIVEFRONT
+ %
+ \setchemicallinesegment -R 688 500 688 100
+ \setchemicallinesegment +R 688 500 688 900
+ %
+ \setchemicaltextelement -RZ 0 -1300
+ \setchemicaltextelement +RZ 0 1300
+ %
+ \def\processchemical[##1##2##3##4]%
+ {\def\chemicalrotation{2}%
+ \processaction
+ [##1##2##3##4]
+ [ -RZ##4=>\processchemicalunrotatedtextelement{Z}{-RZ}{##4}{#1}{5}
+ {,,,,, t,t,t,t,t},
+ +RZ##4=>\processchemicalunrotatedtextelement{Z}{+RZ}{##4}{#1}{5}
+ {,,,,, b,b,b,b,b},
+ -SB##4=>\processchemicallinesegment{-SB}{##4},
+ +SB##4=>\processchemicallinesegment{+SB}{##4},
+ SB##3##4=>\processchemicallinesegment{SB}{##3##4},
+ -R##3##4=>\processchemicalunrotatedlinesegment{t}{-R}{##3##4},
+ +R##3##4=>\processchemicalunrotatedlinesegment{b}{+R}{##3##4},
+ BB##3##4=>\processchemicalzlinesegment{B}{##3##4},
+ R##2##3##4=>\processchemicalunrotatedlinesegment{t}{-R}{##2##3##4}%
+ \processchemicalunrotatedlinesegment{b}{+R}{##2##3##4},
+ B##2##3##4=>\processchemicallinesegment{B}{##2##3##4},
+ Z##2##3##4=>\processchemicaltextelement{Z}{##2##3##4}{#1}{0}{},
+ \s!unknown=>\unknownchemical{##1##2##3##4}]}}
+
+\def\executechemicalSIXFRONT[#1]%
+ {\executechemicalSIX[]%
+ %
+ \setchemicalname SIXFRONT
+ %
+ \setchemicallinesegment -R 866 500 866 100
+ \setchemicallinesegment +R 866 500 866 900
+ %
+ \setchemicaltextelement -RZ 0 -1300
+ \setchemicaltextelement +RZ 0 1300
+ %
+ \def\processchemical[##1##2##3##4]%
+ {\def\chemicalrotation{2}%
+ \processaction
+ [##1##2##3##4]
+ [ -RZ##4=>\processchemicalunrotatedtextelement{Z}{-RZ}{##4}{#1}{6}
+ {,,,,,, t,t,t,t,t,t},
+ +RZ##4=>\processchemicalunrotatedtextelement{Z}{+RZ}{##4}{#1}{6}
+ {,,,,,, b,b,b,b,b,b},
+ -SB##4=>\processchemicallinesegment{-SB}{##4},
+ +SB##4=>\processchemicallinesegment{+SB}{##4},
+ SB##3##4=>\processchemicallinesegment{SB}{##3##4},
+ -R##3##4=>\processchemicalunrotatedlinesegment{t}{-R}{##3##4},
+ +R##3##4=>\processchemicalunrotatedlinesegment{b}{+R}{##3##4},
+ BB##3##4=>\processchemicalzlinesegment{B}{##3##4},
+ R##2##3##4=>\processchemicalunrotatedlinesegment{t}{-R}{##2##3##4}%
+ \processchemicalunrotatedlinesegment{b}{+R}{##2##3##4},
+ B##2##3##4=>\processchemicallinesegment{B}{##2##3##4},
+ Z##2##3##4=>\processchemicaltextelement{Z}{##2##3##4}{#1}{0}{},
+ \s!unknown=>\unknownchemical{##1##2##3##4}]}}
+
+% 1 : 0
+% 2 : -115
+% 3* : -195
+% 3 : -165
+% 4 : -245
+
+\def\executechemicalCARBON[#1]%
+ {\setchemicalname CARBON
+ %
+ \setchemicalmaximum 4
+ \setchemicaldistance 0
+ \setchemicalsubstitute 0
+ %
+ \setchemicalrotation 1 1 0 0 -1 -1 0 0 1
+ \setchemicalrotation 2 -0.423 -0.906 -0.906 0.423 0.423 0.906 0.906 -0.423
+ \setchemicalrotation 3 -0.966 -0.259 -0.259 0.966 0.966 0.259 0.259 -0.966
+ \setchemicalrotation 3* -0.966 0.259 0.259 0.966 0.966 -0.259 -0.259 -0.966
+ \setchemicalrotation 4 -0.423 0.906 0.906 0.423 0.423 -0.906 -0.906 -0.423
+ %
+ \setchemicalangle 1 0 90 180 270
+ \setchemicalangle 2 115 205 295 25
+ \setchemicalangle 3 165 255 345 75
+ \setchemicalangle 3* 195 285 15 105
+ \setchemicalangle 4 245 335 65 155
+ %
+ \setchemicaltranslate 1 -1500 0
+ \setchemicaltranslate 2 0 1500
+ \setchemicaltranslate 3 1500 0
+ \setchemicaltranslate 4 0 -1500
+ %
+ \setchemicallinesegment B1 500 0 1000 0
+ \setchemicallinesegment B2 300 0 1000 0
+ \setchemicallinesegment B3 500 0 1000 0
+ \setchemicallinesegment B4 300 0 1000 0
+ %
+ \setchemicaltextelement Z 1100 0
+ %
+ \setchemicalcircsegment C 0 360 500 360 0 -500
+ %
+ \def\processchemical[##1##2##3##4##5]%
+ {\processaction
+ [##1##2##3##4##5]
+ [ MIR????=>\setchemicalmirror{3},
+ -MIR????=>\resetchemicalmirror{3},
+ *MIR????=>\togglechemicalmirror{3},
+ CB????=>\processlocalchemicals{B,C,Z},
+ C????=>\processchemicalcircsegment{C}{1????},
+ -ROT##5=>\reversechemical{ROT}{##5}{3,4,1,2},
+ ROT##4##5=>\processchemicalrotation{##4##5},
+ MOV##4##5=>\processchemicaltranslate{##4##5},
+ CB##3##4##5=>\processlocalchemicals
+ {ROT##3,C,B,Z2..4,
+ MOV##3,*MIR,-ROT##3,C,B,Z2..4},
+ B##2##3##4##5=>\processprivatechemicallinesegment{B}{##2##3##4##5},
+ Z##2##3##4##5=>\processchemicaltextelement{Z}{##2##3##4##5}{#1}{4}
+ {l,t,r,b, t,r,b,l, r,b,l,t, b,l,t,r},
+ \s!unknown=>\unknownchemical{##1##2##3##4##5}]}}
+
+% 1: 45 2: -90 3: -225
+% 4: -45 5: -135 6: -270
+
+\newif\ifNEWMANstagger \NEWMANstaggertrue
+
+\def\executechemicalNEWMANSTAGGER%
+ {\NEWMANstaggertrue\executechemicalNEWMAN}
+
+\def\executechemicalNEWMANECLIPSE%
+ {\NEWMANstaggerfalse\executechemicalNEWMAN}
+
+\def\executechemicalNEWMAN[#1]%
+ {\setchemicalname NEWMAN
+ %
+ \setchemicalmaximum 6
+ \setchemicaldistance 0
+ \setchemicalsubstitute 0
+ %
+ \ifNEWMANstagger
+ \setchemicalrotation 1 0.707 0.707 0.707 -0.707 -0.707 -0.707 -0.707 0.707
+ \setchemicalrotation 2 0 -1 -1 0 0 1 1 0
+ \setchemicalrotation 3 -0.707 0.707 0.707 0.707 0.707 -0.707 -0.707 -0.707
+ \else
+ \setchemicalrotation 1 .866 -.5 -.5 -.866 -.866 .5 .5 .866
+ \setchemicalrotation 2 -.259 .966 .966 .259 .259 -.966 -.966 -.259
+ \setchemicalrotation 3 -.5 -.866 -.866 .5 .5 .866 .866 -.5
+ \fi
+ \setchemicalrotation 4 0.707 -0.707 -0.707 -0.707 -0.707 0.707 0.707 0.707
+ \setchemicalrotation 5 -0.707 -0.707 -0.707 0.707 0.707 0.707 0.707 -0.707
+ \setchemicalrotation 6 0 1 1 0 0 -1 -1 0
+ %
+ \ifNEWMANstagger
+ \setchemicalangle 1 315 45 135 225
+ \setchemicalangle 2 90 180 270 0
+ \setchemicalangle 3 225 315 45 135
+ \else
+ \setchemicalangle 1 30 120 210 300
+ \setchemicalangle 2 255 345 75 165
+ \setchemicalangle 3 120 210 300 30
+ \fi
+ \setchemicalangle 4 45 135 225 315
+ \setchemicalangle 5 135 225 315 45
+ \setchemicalangle 6 270 0 90 180
+ %
+ \setchemicaltranslate 1 -1500 0
+ \setchemicaltranslate 2 0 1500
+ \setchemicaltranslate 3 1500 0
+ \setchemicaltranslate 4 0 -1500
+ %
+ \setchemicallinesegment B1 0 0 1000 0
+ \setchemicallinesegment B2 0 0 1000 0
+ \setchemicallinesegment B3 0 0 1000 0
+ \setchemicallinesegment B4 500 0 1000 0
+ \setchemicallinesegment B5 500 0 1000 0
+ \setchemicallinesegment B6 500 0 1000 0
+ %
+ \setchemicaltextelement Z 1100 0
+ %
+ \setchemicalcircsegment C 0 360 500 360 0 -500
+ %
+ \def\processchemical[##1##2##3##4]%
+ {\processaction
+ [##1##2##3##4]
+ [STAGGER????=>{\executechemicalNEWMANSTAGGER[#1]},
+ ECLIPSE????=>{\executechemicalNEWMANECLIPSE[#1]},
+ B????=>\processlocalchemicals{B1..6},
+ CB????=>\processlocalchemicals{B1..6,C,Z1..6},
+ C????=>\processchemicalcircsegment{C}{1????},
+ ROT##4=>\processchemicalrotation{##4},
+ MOV##4=>\processchemicaltranslate{##4},
+ B##2##3##4=>\processprivatechemicallinesegment{B}{##2##3##4},
+ Z##2##3##4=>\ifNEWMANstagger
+ \processchemicaltextelement{Z}{##2##3##4}{#1}{6}
+ {l,t,r,l,r,b, l,r,l,r,r,l, r,b,l,r,l,t, r,l,r,l,l,r}%
+ \else
+ \processchemicaltextelement{Z}{##2##3##4}{#1}{6}
+ {l,r,t,t,r,b, t,b,r,r,b,l, r,l,b,b,l,t, b,t,l,l,t,r}%
+ \fi,
+ \s!unknown=>\unknownchemical{##1##2##3##4}]}}
+
+\def\executechemicalCHAIR[#1]% smaller
+ {\setchemicalname CHAIR
+ %
+ \setchemicalmaximum 6
+ %
+ \setchemicallinesegment B1 1600 800 2800 -800
+ \setchemicallinesegment B2 2800 -800 800 0
+ \setchemicallinesegment B3 800 0 -1600 -800
+ \setchemicallinesegment B4 -1600 -800 -2800 800
+ \setchemicallinesegment B5 -2800 800 -800 0
+ \setchemicallinesegment B6 -800 0 1600 800
+ %
+ \setchemicallinesegment +R1 1600 800 1600 1600
+ \setchemicallinesegment +R2 2800 -800 2800 -1600
+ \setchemicallinesegment +R3 800 0 800 800
+ \setchemicallinesegment +R4 -1600 -800 -1600 -1600
+ \setchemicallinesegment +R5 -2800 800 -2800 1600
+ \setchemicallinesegment +R6 -800 0 -800 -800
+ %
+ \setchemicallinesegment -R1 1600 800 2350 522 % 750 278
+ \setchemicallinesegment -R2 2800 -800 3493 -400
+ \setchemicallinesegment -R3 800 0 1329 -600 % 528 600
+ \setchemicallinesegment -R4 -1600 -800 -2350 -522 % 750 278
+ \setchemicallinesegment -R5 -2800 800 -3493 400
+ \setchemicallinesegment -R6 -800 0 -1329 600 % 528 600
+ %
+ \setchemicaltextelement +RZ1 1600 1800
+ \setchemicaltextelement +RZ2 2800 -1800
+ \setchemicaltextelement +RZ3 800 1000
+ \setchemicaltextelement +RZ4 -1600 -1800
+ \setchemicaltextelement +RZ5 -2800 1800
+ \setchemicaltextelement +RZ6 -800 -1000
+ %
+ \setchemicaltextelement -RZ1 2538 453 % 200 lang
+ \setchemicaltextelement -RZ2 3666 -300
+ \setchemicaltextelement -RZ3 1460 -750
+ \setchemicaltextelement -RZ4 -2538 -453
+ \setchemicaltextelement -RZ5 -3666 300
+ \setchemicaltextelement -RZ6 -1460 750
+ %
+ \def\processchemical[##1##2##3##4##5]%
+ {\def\chemicalrotation{1}%
+ \processaction
+ [##1##2##3##4##5]
+ [ B????=>\processlocalchemicals{B1,B2,B3,B4,B5,B6},
+ -R????=>\processlocalchemicals{-R1,-R2,-R3,-R4,-R5,-R6},
+ +R????=>\processlocalchemicals{+R1,+R2,+R3,+R4,+R5,+R6},
+ B##2????=>{\getchemicallinesegment[0][B##2]},
+ -RZ##4????=>{\getchemicalfixedtextelement[-RZ##4][1][##4][l,l,tc,r,r,bc][#1]},
+ +RZ##4????=>{\getchemicalfixedtextelement[+RZ##4][1][##4][c][#1]},
+ -R##3????=>{\getchemicallinesegment[0][-R##3]},
+ +R##3????=>{\getchemicallinesegment[0][+R##3]},
+ \s!unknown=>\unknownchemical{##1##2##3##4##5}]}}
+
+\def\executechemicalarrow#1#2[#3]%
+ {\dogetcommalistelement1\from#3\to\toptext
+ \dogetcommalistelement2\from#3\to\bottext
+ \def\dochemicaltext##1%
+ {\dosetsubscripts%
+ $\@@dochemicalstyle{\@@localchemicalformat\strut##1}$%
+ \doresetsubscripts}%
+ \doifelse\@@chemicallocation\v!intext
+ {#1{\dochemicaltext\toptext}}%
+ {\setbox\chemicalsymbols=\hbox
+ {\box\chemicalsymbols
+ \vbox{\halign{##\cr
+ \hbox to 3em{\hss\dochemicaltext{\toptext}\hss}\cr
+ #2%
+ \hbox to 3em{\hss\dochemicaltext{\bottext}\hss}\cr}}}}}
+
+\def\executechemicalGIVES
+ {\executechemicalarrow
+ {\chemicalsinglepicturearrow}% nodig
+ {\rightarrowfill\cr}}
+
+\def\executechemicalEQUILIBRIUM
+ {\executechemicalarrow
+ {\chemicaldoublepicturearrow}% nodig
+ {\rightarrowfill\cr\leftarrowfill\cr}}
+
+\def\executechemicalMESOMERIC
+ {\executechemicalarrow
+ {\chemicalsinglepicturearrow}% nodig
+ {$\leftarrow\hskip-1em$\rightarrowfill\cr}}
+
+\def\executechemicalsign#1[#2]%
+ {\doifelse\@@chemicallocation\v!intext
+ {\dosetsubscripts
+ $\@@dochemicalstyle{\@@localchemicalformat#1}$%
+ \doresetsubscripts}
+ {\setbox\chemicalsymbols\hbox
+ {\box\chemicalsymbols
+ \dosetsubscripts
+ $\@@dochemicalstyle{\@@localchemicalformat#1}$%
+ \doresetsubscripts}}}
+
+\def\executechemicalPLUS
+ {\executechemicalsign{+}}
+
+\def\executechemicalMINUS
+ {\executechemicalsign{-}}
+
+\def\executechemicalEQUAL
+ {\executechemicalsign{=}}
+
+\def\executechemicalSPACE[#1]%
+ {\doifnot\@@chemicallocation\v!intext
+ {\setbox\chemicalsymbols\hbox
+ {\box\chemicalsymbols
+ \quad}}}
+
+\def\executechemicalCHEM[#1]%
+ {\doifnot\@@chemicallocation\v!intext
+ {\setbox\chemicalsymbols\hbox
+ {\box\chemicalsymbols
+ $\@@dochemicalstyle{\@@localchemicalformat#1}$}}}
+
+\def\executechemicalTEXT[#1]%
+ {\doifnot\@@chemicallocation\v!intext
+ {\setbox\chemicalsymbols\hbox
+ {\box\chemicalsymbols#1}}}
+
+%\def\executechemicalLOW[#1]%
+% {\setlowsubscripts}
+%
+%\def\executechemicalHIGH[#1]%
+% {\sethighsubscripts}
+
+\def\putchemicalrule#1#2#3#4%
+ {\ifcase\chemicaldrawingmode
+ \putrule from {#1} {#2} to {#3} {#4}
+ \or
+ \psline(#1,#2)(#3,#4)%
+ \or
+ \bgroup
+ \!!counta=#1\!!countb=#2\!!countc=#3\!!countd=#4\relax
+ \global\MPdrawingdonetrue
+ \setchemicalattributes
+ \startMPdrawing
+ x1 := \MPdivten[\the\!!counta]u ;
+ y1 := \MPdivten[\the\!!countb]u ;
+ x2 := \MPdivten[\the\!!countc]u ;
+ y2 := \MPdivten[\the\!!countd]u ;
+ draw z1--z2 ;
+ \stopMPdrawing
+ \egroup
+ \fi}
+
+\def\executechemicalcomplex#1%
+ {\bgroup
+ \putchemicalrule {0} {-\@@chemicalbottom} {0} {\@@chemicaltop}%
+ \putchemicalrule {0} {\@@chemicaltop} {#1150} {\@@chemicaltop}%
+ \putchemicalrule {0} {-\@@chemicalbottom} {#1150} {-\@@chemicalbottom}%
+ \egroup}
+
+\def\executechemicalOPENCOMPLEX[#1]%
+ {\executechemicalcomplex+\ignorespaces
+ \executechemicalSPACE[]}
+
+\def\executechemicalCLOSECOMPLEX[#1]%
+ {\executechemicalSPACE[]%
+ \executechemicalcomplex-\ignorespaces}
+
+% nog niet door midden as!
+
+\def\executechemicalverticalsymbol#1#2%
+ {\executechemicalTEXT
+ [$\left#1\relax
+ \dimen0=\@@chemicalunit
+ \scratchcounter=\@@chemicaltop
+ \advance\scratchcounter by \@@chemicalbottom
+ \dimen0=\scratchcounter\dimen0
+ \vcenter to \dimen0{}
+ \dimen2=\@@chemicalunit
+ \dimen2=\@@chemicalright\dimen0
+ \vcenter{\leftskip1em\hsize\dimen2\relax\strut#2\strut}%
+ \right.$]}%
+
+\def\executechemicalUPARROW[#1]%
+ {\executechemicalverticalsymbol\uparrow{#1}}
+
+\def\executechemicalDOWNARROW[#1]%
+ {\executechemicalverticalsymbol\downarrow{#1}}
+
+\def\executechemicalUPDOWNARROW[#1]%
+ {\executechemicalverticalsymbol\updownarrow{#1}}
+
+\let\setchemicalattributes\relax
+
+\setupchemical
+ [\c!width=0,
+ \c!height=0,
+ \c!left=0,
+ \c!right=0,
+ \c!top=0,
+ \c!bottom=0,
+ \c!bodyfont=\the\bodyfontsize,
+ \c!resolution=\outputresolution,
+ \c!scale=\v!medium,
+ \c!size=\v!medium,
+ \c!textsize=\v!big,
+ \c!frame=\v!off,
+ \c!axis=\v!off,
+ \c!state=\v!start,
+ \c!style=\rm,
+ \c!location=,
+ \c!option=,
+ \c!offset=LOW,
+ \c!alternative=1,
+ \c!color=,
+ \c!rulethickness=,
+ \c!rulecolor=,
+ \c!factor=1]
+
+% Tijdelijk plaatsen we deze extra macro's hier.
+%
+% mathontop: \mtop {} {}
+% textontop: \ttop {} {}
+
+\def\putontop#1#2%
+ {\vbox
+ {\halign
+ {\strut\hss##\hss\cr
+ #1\cr
+ #2\cr}}}
+
+\def\ttop#1#2%
+ {\putontop{\tx#1}{#2}}
+
+\def\mtop#1#2%
+ {\vbox
+ {\offinterlineskip
+ \halign
+ {\hss##\hss\cr
+ $\scriptscriptstyle#1$\cr
+ \noalign{\vskip.5ex}%
+ $#2$\cr}}}
+
+\def\ctop#1#2%
+ {\vbox
+ {\offinterlineskip
+ \halign
+ {\hss##\hss\cr
+ $\@@dochemicalstyle{\@@localchemicalformat\scriptscriptstyle#1}$\cr
+ \noalign{\vskip.5ex}%
+ $\@@dochemicalstyle{\@@localchemicalformat#2}$\cr}}}
+
+%D Here are a couple of \CONTEXT\ goodies:
+%D
+%D \startitemize
+%D \item styles hooked into \CONTEXT\ style mechanism
+%D \item support for color and rulethickness (mp mode only)
+%D \item position tracking
+%D \stopitemize
+
+\ifCONTEXT \else \protect \endinput \fi
+
+\let\@@chemicalrulecolor\empty
+\let\@@chemicalcolor \empty
+
+% \def\setchemicalattributes
+% {\scratchdimen\@@chemicalchemicalrulethickness
+% \def\chemicalattributes
+% {withpen pencircle scaled \the\scratchdimen\space
+% withcolor }%
+% \doifelsenothing\@@chemicalchemicalrulecolor
+% {\edef\chemicalattributes{\chemicalattributes black}}
+% {\edef\chemicalattributes{\chemicalattributes \MPcolor{\@@chemicalchemicalrulecolor}}}%
+% \startMPdrawing
+% drawoptions (\chemicalattributes) ;
+% \stopMPdrawing}
+
+\def\setchemicalattributes
+ {\scratchdimen\@@chemicalrulethickness
+ \def\chemicalattributes
+ {withpen pencircle scaled \the\scratchdimen\space
+ withcolor }%
+ \doifelsenothing\@@chemicalrulecolor
+ {\edef\chemicalattributes{\chemicalattributes black}}
+ {\edef\chemicalattributes{\chemicalattributes \MPcolor{\@@chemicalrulecolor}}}%
+ \startMPdrawing
+ drawoptions (\chemicalattributes) ;
+ \stopMPdrawing}
+
+\def\@@dochemicalcolor
+ {\doifsomething\@@chemicalcolor{\color[\@@chemicalcolor]}}
+
+\def\@@dochemicalstyle
+ {\doconvertfont\@@chemicalstyle}
+
+\setupchemical
+ [\c!rulethickness=\linewidth,
+ \c!rulecolor=,
+ \c!color=]
+
+\def\cpos#1#2%
+ {\iftrialtypesetting
+ #2%
+ \else
+ \bgroup
+ \globalpushmacro\dowithchemical
+ \gdef\dowithchemical##1{\hpos{#1}{##1}\globalpopmacro\dowithchemical}%
+ #2%
+ \egroup
+ \fi}
+
+\protect \endinput
+
+% \startchemical[axis=on,frame=yes]
+% \chemical[SIX,ROT2,B,R36,RZ6][CH_3]
+% \chemical[PB:RZ3,ONE,Z05,SB5,EP37,PE][O,H]
+% \stopchemical
+
+% \startchemical[size=big,scale=small,axis=on,frame=yes,factor=1.5]
+% \chemical[SIX,ROT2,B,R36,RZ6][CH_3]
+% \chemical[PB:RZ3,ONE,Z05,SB5,EP37,PE][O,H]
+% \stopchemical
+
+% \startchemical[size=big,scale=medium,axis=on,frame=yes,factor=1.5]
+% \chemical[SIX,ROT2,B,R36,RZ6][CH_3]
+% \chemical[PB:RZ3,ONE,Z05,SB5,EP37,PE][O,H]
+% \stopchemical
+
+% \startchemical[size=big,scale=big,axis=on,frame=yes,factor=1.5]
+% \chemical[SIX,ROT2,B,R36,RZ6][CH_3]
+% \chemical[PB:RZ3,ONE,Z05,SB5,EP37,PE][O,H]
+% \stopchemical
+