📄 cml1_0.dtd
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<!-- Appendix A - CML DTD-1999-05-15 --><!-- Authors: P.Murray-Rust H.RzepaThis DTD is fully described in Journal of Chemical Information and Computer Science, Vol xxx, 1999, pp. xxx--><!-- =======================================================--><!-- PARAMETER ENTITIES --><!-- =======================================================--><!-- ======attributes found on almost all elements ==========--><!ENTITY % title 'title CDATA #IMPLIED'><!ENTITY % id 'id CDATA #IMPLIED'><!ENTITY % convention 'convention CDATA "CML"'><!ENTITY % dictRef 'dictRef CDATA #IMPLIED'><!-- ======linking information ==============================--><!ENTITY % simpleLink 'href CDATA #REQUIRED'><!-- ======quantifiers and constraints on some primitives ===--><!ENTITY % count 'count CDATA "1"'><!ENTITY % size 'size CDATA #IMPLIED'><!ENTITY % rows 'rows CDATA #REQUIRED'><!ENTITY % columns 'columns CDATA #REQUIRED'><!-- ======constraints on some numeric data primitives ===--><!ENTITY % min 'min CDATA #IMPLIED'><!ENTITY % max 'max CDATA #IMPLIED'><!ENTITY % units 'units CDATA #IMPLIED'><!ENTITY % angleUnits 'units (degrees | radians) "degrees"'><!ENTITY % unitsRef 'unitsRef CDATA #IMPLIED'><!-- values which may be useful in min and max attributes --><!ENTITY % integer.zero '0'><!ENTITY % integer.max '2147483647'><!ENTITY % integer.min '-2147483648'><!ENTITY % float.zero '0.0'><!ENTITY % float.max '8.98846567431158E307'><!ENTITY % float.min '4.9E-324'><!-- ======= builtin values for any element ================--><!ENTITY % builtinId 'id'><!-- ======= builtin values for atoms ======================--><!ENTITY % elementType 'elementType'><!ENTITY % atomId 'atomId'><!ENTITY % x2 'x2'><!ENTITY % y2 'y2'><!ENTITY % x3 'x3'><!ENTITY % y3 'y3'><!ENTITY % z3 'z3'><!ENTITY % xy2 'xy2'><!ENTITY % xyz3 'xyz3'><!ENTITY % xFract 'xFract'><!ENTITY % yFract 'yFract'><!ENTITY % zFract 'zFract'><!ENTITY % xyzFract 'xyzFract'><!ENTITY % occupancy 'occupancy'><!ENTITY % isotope 'isotope'><!ENTITY % formalCharge 'formalCharge'><!ENTITY % nonHydrogenCount 'nonHydrogenCount'><!ENTITY % hydrogenCount 'hydrogenCount'><!ENTITY % atomParity 'atomParity'><!ENTITY % residueType 'residueType'><!ENTITY % residueId 'residueId'><!ENTITY % atomStringBuiltin ' %elementType; | %atomId; | %residueType; | %residueId; ' ><!ENTITY % atomFloatBuiltin ' %x2; | %y2; | %x3; | %y3; | %z3; | %xFract; | %yFract; | %zFract; | %occupancy; | %isotope; | %formalCharge; | %hydrogenCount; | %nonHydrogenCount; | %atomParity; ' ><!ENTITY % atomIntegerBuiltin ' %isotope; | %formalCharge; | %hydrogenCount; | %nonHydrogenCount; | %atomParity; ' ><!ENTITY % atomCoordinate2Builtin ' %xy2; ' ><!ENTITY % atomCoordinate3Builtin ' %xyz3; | %xyzFract; ' ><!-- ======= builtin values for bonds ======================--><!ENTITY % atomRef 'atomRef'><!ENTITY % builtinAtomRefs 'atomRefs'><!ENTITY % length 'length'><!ENTITY % order 'order'><!ENTITY % stereo 'stereo'><!ENTITY % atomRefs 'atomRefs CDATA #IMPLIED'><!ENTITY % bondStringBuiltin ' %atomRef; | %builtinAtomRefs; | %order; | %stereo; ' ><!ENTITY % bondFloatBuiltin ' %length; ' ><!ENTITY % bondIntegerBuiltin '' ><!-- ======= builtin values for crystal ====================--><!ENTITY % acell 'acell'><!ENTITY % bcell 'bcell'><!ENTITY % ccell 'ccell'><!ENTITY % alpha 'alpha'><!ENTITY % beta 'beta'><!ENTITY % gamma 'gamma'><!ENTITY % z 'z'><!ENTITY % spacegroup 'spacegroup'><!ENTITY % crystalStringBuiltin ' %spacegroup; '><!ENTITY % crystalFloatBuiltin ' %acell; | %bcell; | %ccell; | %alpha; | %beta; | %gamma; | %z; ' ><!ENTITY % crystalIntegerBuiltin ' %z; ' ><!-- =======================================================--><!ENTITY % stringBuiltin ' builtin ( %builtinId; | %atomStringBuiltin; | %bondStringBuiltin; | %crystalStringBuiltin; ) #IMPLIED '> <!ENTITY % floatBuiltin ' builtin ( %atomFloatBuiltin; | %bondFloatBuiltin; | %crystalFloatBuiltin; ) #IMPLIED '> <!ENTITY % integerBuiltin ' builtin ( %atomIntegerBuiltin; | %crystalIntegerBuiltin; ) #IMPLIED '> <!ENTITY % coordinate2Builtin ' builtin ( %atomCoordinate2Builtin; ) #IMPLIED '> <!ENTITY % coordinate3Builtin ' builtin ( %atomCoordinate3Builtin; ) #IMPLIED '> <!-- =======================================================--><!-- ELEMENTS for widely used data primitives --><!-- =======================================================--><!ELEMENT string (#PCDATA)><!ATTLIST string %title; %id; %stringBuiltin; %dictRef; %convention; ><!ELEMENT link (#PCDATA)><!ATTLIST link %title; %id; %simpleLink; %convention; ><!ELEMENT float (#PCDATA)><!ATTLIST float %title; %id; %floatBuiltin; %min; %max; %units; %unitsRef; %dictRef; %convention; ><!ELEMENT integer (#PCDATA)><!ATTLIST integer %title; %id; %integerBuiltin; %min; %max; %units; %unitsRef; %dictRef; %convention; ><!ELEMENT stringArray (#PCDATA)><!ATTLIST stringArray %title; %id; %stringBuiltin; %size; %min; %max; delimiter CDATA #IMPLIED %dictRef; %convention; ><!ELEMENT floatArray (#PCDATA)><!ATTLIST floatArray %title; %id; %floatBuiltin; %size; %min; %max; %units; %unitsRef; %dictRef; %convention; ><!ELEMENT integerArray (#PCDATA)><!ATTLIST integerArray %title; %id; %integerBuiltin; %size; %min; %max; %units; %unitsRef; %dictRef; %convention; ><!ELEMENT floatMatrix (#PCDATA)><!ATTLIST floatMatrix %title; %id; %rows; %columns; %min; %max; %units; %unitsRef; %dictRef; %convention; ><!ELEMENT coordinate2 (#PCDATA)><!ATTLIST coordinate2 %title; %id; %coordinate2Builtin; %unitsRef; %dictRef; %convention; ><!ELEMENT coordinate3 (#PCDATA)><!ATTLIST coordinate3 %title; %id; %coordinate3Builtin; %unitsRef; %dictRef; %convention; ><!ELEMENT angle (#PCDATA)><!ATTLIST angle %title; %id; %atomRefs; %angleUnits; %min; %max; %dictRef; %convention; ><!ELEMENT torsion (#PCDATA)><!ATTLIST torsion %title; %id; %atomRefs; %angleUnits; %min; %max; %dictRef; %convention; ><!ELEMENT list ANY><!ATTLIST list %title; %id;><!-- =======================================================--><!-- ELEMENTS for chemical and crystallographic concepts --><!-- =======================================================--><!-- NOTE for elements which have element-specific values for the builtin attribute, those values are already listed as entities--> <!-- =======================================================--><!ELEMENT molecule ANY><!ATTLIST molecule %title; %id; %count; %dictRef; %convention; ><!-- ========================================================--><!ELEMENT formula ANY><!ATTLIST formula %title; %id; %count; %dictRef; %convention; ><!-- ========================================================--><!ELEMENT atom ANY><!ATTLIST atom %title; %id; %count; %dictRef; %convention; ><!-- .......................................................--><!ELEMENT atomArray ANY><!ATTLIST atomArray %title; %id; %dictRef; %convention; ><!-- ========================================================--><!ELEMENT bond ANY><!ATTLIST bond %id; %atomRefs; %dictRef; %convention; ><!-- ========================================================--><!ELEMENT bondArray ANY><!ATTLIST bondArray %id; %dictRef; %convention; ><!-- ========================================================--><!ELEMENT electron ANY><!ATTLIST electron %id; %count; %dictRef; %convention; ><!-- ========================================================--><!ELEMENT reaction ANY><!ATTLIST reaction %id; %dictRef; %convention; ><!-- ======================================================= --><!ELEMENT crystal ANY><!ATTLIST crystal %title; %id; %dictRef; %convention; ><!-- ======================================================= --><!ELEMENT sequence ANY><!ATTLIST sequence %title; %id; %dictRef; %convention; ><!-- ======================================================= --><!ELEMENT feature ANY><!ATTLIST feature %title; %id; %dictRef; %convention; >⌨️ 快捷键说明
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