Package org.openscience.cdk.io.cml
Class MDLMolConvention
- java.lang.Object
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- org.openscience.cdk.io.cml.CMLCoreModule
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- org.openscience.cdk.io.cml.MDLMolConvention
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- All Implemented Interfaces:
ICMLModule
public class MDLMolConvention extends CMLCoreModule
Implementation of the MDLMol Covention for CML.- Author:
- Egon Willighagen <egonw@sci.kun.nl>
- 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 MDLMolConvention(IChemFile chemFile)
MDLMolConvention(ICMLModule conv)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
characterData(org.openscience.cdk.io.cml.CMLStack xpath, char[] ch, int start, int length)
void
startDocument()
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, endDocument, endElement, inherit, newAtomData, newBondData, newCrystalData, newFormulaData, newMolecule, newMoleculeData, notify, returnChemFile, storeAtomData, storeBondData, storeData
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Constructor Detail
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MDLMolConvention
public MDLMolConvention(IChemFile chemFile)
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MDLMolConvention
public MDLMolConvention(ICMLModule conv)
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Method Detail
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startDocument
public void startDocument()
- Specified by:
startDocument
in interfaceICMLModule
- Overrides:
startDocument
in classCMLCoreModule
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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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characterData
public void characterData(org.openscience.cdk.io.cml.CMLStack xpath, char[] ch, int start, int length)
- Specified by:
characterData
in interfaceICMLModule
- Overrides:
characterData
in classCMLCoreModule
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