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diff --git a/tex/context/base/ppchtex.mkii b/tex/context/base/ppchtex.mkii new file mode 100644 index 000000000..045e9808b --- /dev/null +++ b/tex/context/base/ppchtex.mkii @@ -0,0 +1,3554 @@ +%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 copyright={PRAGMA / Hans Hagen \& Ton Otten}, +%D suggestions={Tobias Burnus, Dirk Kuypers \& Ton Otten}] +%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 + |