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authorTaco Hoekwater <taco@elvenkind.com>2009-08-23 11:11:32 +0000
committerTaco Hoekwater <taco@elvenkind.com>2009-08-23 11:11:32 +0000
commit8fc3039c82d48605b5ca8b2eda3f4fdd755681e1 (patch)
tree3cd9bbdd599bc4d1ac0409e167fee2136e4c0ec9 /Master/texmf-dist/tex/context/base/x-chemml.mkiv
parent850fc99b7cd3ae7a20065531fe866ff7bae642ec (diff)
this is context 2009.08.19 17:10
git-svn-id: svn://tug.org/texlive/trunk@14827 c570f23f-e606-0410-a88d-b1316a301751
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+%D \module
+%D [ file=x-cml,
+%D version=2007.09.03, % reimplementation
+%D title=\CONTEXT\ XML Modules,
+%D subtitle=MkIV ChemML renderer,
+%D author=Hans Hagen,
+%D date=\currentdate,
+%D copyright={PRAGMA ADE}]
+%C
+%C This module is part of the \CONTEXT\ macro||package and is
+%C therefore copyrighted by \PRAGMA. See mreadme.pdf for
+%C details.
+
+\writestatus{loading}{ConTeXt XML Macros / Chemistry}
+
+\usemodule[pictex,chemic] % someday we will do structural fomulas in mp
+
+%D The following code assumes a load||flush approach to \XML.
+
+\unprotect
+
+\startxmlsetups xml:cml:process
+
+ \xmlstrip {\xmldocument} {cml:chem|cml:ichem|cml:dchem|cml:reaction|cml:molecule|cml:ion|cml:structure}
+
+ \xmlgrab {\xmldocument} {cml:*} {*}
+ \xmlgrab {\xmldocument} {cml:gives|cml:equilibrium|cml:mesomeric} {cml:arrow}
+ \xmlgrab {\xmldocument} {cml:plus|cml:minus|cml:equal} {cml:operator}
+ \xmlgrab {\xmldocument} {cml:bond|cml:singlebond|cml:doublebound|cml:triplebond} {cml:bond}
+
+ \xmlgrab {\xmldocument} {pi::chemml} {cml:pi}
+\stopxmlsetups
+
+\xmlregistersetup{xml:cml:process}
+
+\xmlregisterns{cml}{chemml}
+
+\def\setupCMLappearance[#1]{\dodoubleargument\getparameters[@@CML#1]}
+
+\setupCMLappearance [ion] [\c!alternative=\v!a]
+
+\startluacode
+ function lxml.cml_do_pi(id)
+ local str = xml.content(lxml.id(id))
+ local _, class, key, value = str:match("^(%S+)%s+(%S+)%s+(%S+)%s+(%S+)%s*$")
+ if key and value then
+ tex.sprint(tex.ctxcatcodes,string.format("\\setupCMLappearance[%s][%s=%s]",class, key, value))
+ end
+ end
+\stopluacode
+
+\def\doifelseCMLvariable#1#2#3% id key value
+ {\doifelse{\xmlatt{#1}{#2}}{#3}
+ \firstoftwoarguments
+ {\doifelse{\getvalue{@@CML\xmltag{#1}#2}}{#3}
+ \firstoftwoarguments
+ \secondoftwoarguments}}
+
+\startxmlsetups cml:pi
+ \ctxlua{lxml.cml_do_pi(#1)}
+\stopxmlsetups
+
+\startxmlsetups cml:chem
+ \automathematics{\xmlflush{#1}}
+\stopxmlsetups
+\startxmlsetups cml:ichem
+ \inlinemathematics{\xmlflush{#1}}
+\stopxmlsetups
+\startxmlsetups cml:dchem
+ \displaymathematics{\xmlflush{#1}}
+\stopxmlsetups
+
+\startxmlsetups cml:reaction
+ \xmlflush{#1}
+\stopxmlsetups
+
+\def\doCMLtext#1#2#3% main top bot
+ {\setbox0\hbox{\doifsomething{#2}{\txx\setstrut\strut\ignorespaces#2\unskip}}%
+ \setbox2\hbox{\ignorespaces\strut#1\unskip}%
+ \setbox4\hbox{\doifsomething{#3}{\txx\setstrut\strut\ignorespaces#3\unskip}}%
+ \scratchdimen=\wd2\advance\scratchdimen-.5em
+ \ifdim\wd0>\scratchdimen
+ \setbox0\hbox spread .5em{\hss\box0\hss}%
+ \fi
+ \ifdim\wd4>\scratchdimen
+ \setbox4\hbox spread .5em{\hss\box4\hss}%
+ \fi
+ \setbox6=\vbox
+ {\offinterlineskip\halign{\hss##\hss\cr\copy0\cr\copy2\cr\copy4\cr}}%
+ \hbox{\lower\ht4\hbox{\lower\dp2\box6}}}
+
+\def\doCMLamount#1%
+ {\scratchcounter0\xmlatt{#1}{n}\relax
+ \ifnum\scratchcounter>0 \number\scratchcounter \fi}
+
+\startxmlsetups cml:molecule
+ \doCMLtext
+ {\doCMLamount{#1}
+ \xmlall{#1}{cml:atom|cml:bond|cml:singlebond|cml:doublebond|cml:triplebond}}
+ {\xmlindex{#1}{cml:caption}{2}}
+ {\xmlindex{#1}{cml:caption}{1}}
+\stopxmlsetups
+
+\startxmlsetups cml:atom
+ \doCMLtext {
+ \lohi {
+ $\tfxx\xmlatt{#1}{protons}$
+ } {
+ $\tfxx\xmlatt{#1}{weight}$
+ }
+ \xmlflush{#1}
+ \lohi {
+ $\tfxx\xmlatt{#1}{n}$
+ } {
+ $\tfxx\xmlatt{#1}{charge}$%
+ }
+ }
+ {\xmlindex{#1}{cml:caption}{2}}
+ {\xmlindex{#1}{cml:caption}{1}}
+\stopxmlsetups
+
+\startxmlsetups cml:ion
+ \doifelseCMLvariable{#1}{alternative}{b} {
+ \left[
+ \doCMLtext
+ {\doCMLamount{#1}
+ \xmlall{#1}{cml:atom}}
+ {\xmlindex{#1}{cml:caption}{2}}
+ {\xmlindex{#1}{cml:caption}{1}}
+ \right]
+ } {
+ \doCMLtext
+ {\doCMLamount{#1}
+ \xmlall{#1}{cml:atom}}
+ {\xmlindex{#1}{cml:caption}{2}}
+ {\xmlindex{#1}{cml:caption}{1}}
+ }
+ \high {\xmlatt{#1}{charge}}
+\stopxmlsetups
+
+\def\doCMLgives {\xrightarrow}
+\def\doCMLequilibrium{\xleftrightarrow}
+\def\doCMLmesomeric {\xrightoverleftarrow}
+\def\doCMLplus {+}
+\def\doCMLminus {-}
+\def\doCMLequal {=}
+
+\startxmlsetups cml:arrow
+ \quad
+ \executeifdefined{doCML\xmlname{#1}}\doCMLgives{\tf\xmlindex{#1}{cml:caption}{2}}{\tf\xmlindex{#1}{cml:caption}{1}}
+ \quad
+\stopxmlsetups
+
+\startxmlsetups cml:operator
+ \quad
+ \mathop{\executeifdefined{doCML\xmlname{#1}}\doCMLplus}
+ \quad
+\stopxmlsetups
+
+\startxmlsetups cml:bond
+ \executeifdefined{doCML\xmlname{#1}} {
+ \ifcase0\xmlatt{#1}{n}\relax
+ \doCMLsinglebond
+ \or
+ \doCMLdoublebond
+ \or
+ \doCMLtriplebond
+ \fi
+ }
+\stopxmlsetups
+
+\def\doCMLbond
+ {\hrule\!!width\hsize\!!height.1ex\relax}
+
+\def\dodoCMLbond#1#2#3%
+ {\begingroup
+ \setbox\scratchbox\hbox{$M$}%
+ \vbox to \ht\scratchbox
+ {\hsize\wd\scratchbox
+ \vskip.1\wd\scratchbox
+ #1\vfill#2\vfill#3%
+ \vskip.1\wd\scratchbox}%
+ \endgroup}
+
+\def\doCMLsinglebond{\dodoCMLbond\relax \doCMLbond\relax }
+\def\doCMLdoublebond{\dodoCMLbond\doCMLbond\relax \doCMLbond}
+\def\doCMLtriplebond{\dodoCMLbond\doCMLbond\doCMLbond\doCMLbond}
+
+\startxmlsetups cml:structure
+ \startchemical
+ \xmlall{#1}{cml:component}
+ \stopchemical
+\stopxmlsetups
+
+% It makes not much sense to adapt ppchtex to accept different input. Maybe some day.
+
+\startluacode
+ function lxml.cml_do_graphic(id)
+ local t = { }
+ for r, d, k in xml.elements(lxml.id(id),"cml:graphic") do
+ t[#t+1] = xml.tostring(d[k].dt)
+ end
+ tex.sprint(tex.ctxcatcodes,table.concat(t,","))
+ end
+ function lxml.cml_no_graphic(id)
+ local t = { }
+ for r, d, k in xml.elements(lxml.id(id),"cml:text|cml:oxidation|cml:annotation") do
+ local dk = d[k]
+ if dk.tg == "oxidation" then
+ t[#t+1] = string.format("\\chemicaloxidation{%s}{%s}{%s}",r.at.sign or "",r.at.n or 1,xml.tostring(dk.dt))
+ elseif dk.tg == "annotation" then
+ local location = r.at.location or "r"
+ local caption = xml.content(xml.first(dk,"cml:caption"))
+ local text = xml.content(xml.first(dk,"cml:text"))
+ t[#t+1] = string.format("\\doCMLannotation{%s}{%s}{%s}",location,caption,text)
+ else
+ t[#t+1] = xml.tostring(dk.dt) or ""
+ end
+ end
+ tex.sprint(tex.ctxcatcodes,table.concat(t,","))
+ end
+\stopluacode
+
+\startxmlsetups cml:component
+ \expanded {
+ \chemical
+ [\ctxlua{lxml.cml_do_graphic("#1")}]
+ [\ctxlua{lxml.cml_no_graphic("#1")}]
+ }
+\stopxmlsetups
+
+\unexpanded\def\doCMLannotation#1% #2#3% loc caption text
+ {\XMLval{cml:a:l}{#1}{\chemicalright}}% {#2}{#3}}
+
+\mapXMLvalue {cml:a:l} {t} {\chemicaltop}
+\mapXMLvalue {cml:a:l} {b} {\chemicalbottom}
+\mapXMLvalue {cml:a:l} {l} {\chemicalleft}
+\mapXMLvalue {cml:a:l} {r} {\chemicalright}
+\mapXMLvalue {cml:a:l} {lc} {\chemicalleftcentered} % \mapXMLvalue {cml:a:l} {cl} {\chemicalleftcentered}
+\mapXMLvalue {cml:a:l} {rc} {\chemicalrightcentered} % \mapXMLvalue {cml:a:l} {cr} {\chemicalrightcentered}
+\mapXMLvalue {cml:a:l} {tl} {\chemicaltopleft} % \mapXMLvalue {cml:a:l} {lt} {\chemicaltopleft}
+\mapXMLvalue {cml:a:l} {bl} {\chemicalbottomleft} % \mapXMLvalue {cml:a:l} {lb} {\chemicalbottomleft}
+\mapXMLvalue {cml:a:l} {tr} {\chemicaltopright} % \mapXMLvalue {cml:a:l} {rt} {\chemicaltopright}
+\mapXMLvalue {cml:a:l} {br} {\chemicalbottomright} % \mapXMLvalue {cml:a:l} {rb} {\chemicalbottomright}
+\mapXMLvalue {cml:a:l} {lt} {\chemicallefttop} % \mapXMLvalue {cml:a:l} {tl} {\chemicallefttop}
+\mapXMLvalue {cml:a:l} {lb} {\chemicalleftbottom} % \mapXMLvalue {cml:a:l} {bl} {\chemicalleftbottom}
+\mapXMLvalue {cml:a:l} {rt} {\chemicalrighttop} % \mapXMLvalue {cml:a:l} {tr} {\chemicalrighttop}
+\mapXMLvalue {cml:a:l} {rb} {\chemicalrightbottom} % \mapXMLvalue {cml:a:l} {br} {\chemicalrightbottom}
+\mapXMLvalue {cml:a:l} {x} {\chemicaltighttext}
+\mapXMLvalue {cml:a:l} {sl} {\chemicalsmashedleft} % \mapXMLvalue {cml:a:l} {ls} {\chemicalsmashedleft}
+\mapXMLvalue {cml:a:l} {sm} {\chemicalsmashedmiddle} % \mapXMLvalue {cml:a:l} {ms} {\chemicalsmashedmiddle}
+\mapXMLvalue {cml:a:l} {sr} {\chemicalsmashedright} % \mapXMLvalue {cml:a:l} {rs} {\chemicalsmashedright}
+
+\startxmlsetups cml:forever
+ \left[\xmlflush{#1}\right]
+\stopxmlsetups
+
+% \starttext
+% \xmlprocess{main}{cmltest.xml}{xml:process}
+% \stoptext
+
+\protect \endinput