Package org.openscience.cdk.io.cml
Class QSARConvention
- java.lang.Object
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- org.openscience.cdk.io.cml.CMLCoreModule
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- org.openscience.cdk.io.cml.QSARConvention
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- All Implemented Interfaces:
ICMLModule
public class QSARConvention extends CMLCoreModule
This is an implementation for the CDK convention.- Author:
- egonw
- Source code:
- main
- Belongs to CDK module:
- io
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Field Summary
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Fields inherited from class org.openscience.cdk.io.cml.CMLCoreModule
atomAromaticities, atomCounter, atomCustomProperty, atomDictRefs, atomEnumeration, atomicNumbers, atomParities, bondARef1, bondARef2, bondAromaticity, bondCounter, bondCustomProperty, bondDictRefs, bondElid, bondid, bondStereo, BUILTIN, crystalScalar, curRef, currentAtom, currentBond, currentChars, currentChemFile, currentChemModel, currentChemSequence, CurrentElement, currentMolecule, currentMoleculeSet, currentMonomer, currentReaction, currentReactionSet, currentStrand, DICTREF, elementTitle, elid, elsym, eltitles, exactMasses, formalCharges, formula, formulaCounter, hCounts, inchi, isotope, logger, moleculeCustomProperty, occupancies, order, parityARef1, parityARef2, parityARef3, parityARef4, parityAtomsGiven, parityGiven, partialCharges, spinMultiplicities, stereoGiven, SYSTEMID, unitcellparams, x2, x3, xfract, y2, y3, yfract, z3, zfract
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Constructor Summary
Constructors Constructor Description QSARConvention(IChemFile chemFile)
QSARConvention(ICMLModule conv)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
endElement(org.openscience.cdk.io.cml.CMLStack xpath, String uri, String local, String raw)
void
startElement(org.openscience.cdk.io.cml.CMLStack xpath, String uri, String local, String raw, Attributes atts)
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Methods inherited from class org.openscience.cdk.io.cml.CMLCoreModule
addArrayElementsTo, characterData, endDocument, inherit, newAtomData, newBondData, newCrystalData, newFormulaData, newMolecule, newMoleculeData, notify, returnChemFile, startDocument, storeAtomData, storeBondData, storeData
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Constructor Detail
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QSARConvention
public QSARConvention(IChemFile chemFile)
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QSARConvention
public QSARConvention(ICMLModule conv)
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Method Detail
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startElement
public void startElement(org.openscience.cdk.io.cml.CMLStack xpath, String uri, String local, String raw, Attributes atts)
- Specified by:
startElement
in interfaceICMLModule
- Overrides:
startElement
in classCMLCoreModule
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endElement
public void endElement(org.openscience.cdk.io.cml.CMLStack xpath, String uri, String local, String raw)
- Specified by:
endElement
in interfaceICMLModule
- Overrides:
endElement
in classCMLCoreModule
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