Package org.openscience.cdk.io.cml

Class PMPConvention

java.lang.Object

org.openscience.cdk.io.cml.CMLCoreModule

org.openscience.cdk.io.cml.PMPConvention

All Implemented Interfaces:

ICMLModule

public class PMPConvention
extends CMLCoreModule

Implementation of the PMPMol Covention for CML.

PMP stands for PolyMorph Predictor and is a module of Cerius2 (tm).

Author:

Egon Willighagen <egonw@sci.kun.nl>

Source code:

main

Belongs to CDK module:

io

Field Summary

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

Constructor Summary

Constructors

Constructor	Description
PMPConvention(IChemFile chemFile)
PMPConvention(ICMLModule conv)

Method Summary

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)

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

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

PMPConvention

public PMPConvention(IChemFile chemFile)

PMPConvention

public PMPConvention(ICMLModule conv)

Method Details

startDocument

public void startDocument()

Specified by:

startDocument in interface ICMLModule

Overrides:

startDocument in class CMLCoreModule

startElement

public void startElement(org.openscience.cdk.io.cml.CMLStack xpath,
 String uri,
 String local,
 String raw,
 Attributes atts)

Specified by:

startElement in interface ICMLModule

Overrides:

startElement in class CMLCoreModule

characterData

public void characterData(org.openscience.cdk.io.cml.CMLStack xpath,
 char[] ch,
 int start,
 int length)

Specified by:

characterData in interface ICMLModule

Overrides:

characterData in class CMLCoreModule