Package org.jmol.adapter.readers.xml
Class XmlChemDrawReader
- java.lang.Object
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- org.jmol.adapter.smarter.AtomSetCollectionReader
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- org.jmol.adapter.readers.xml.XmlReader
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- org.jmol.adapter.readers.xml.XmlChemDrawReader
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- All Implemented Interfaces:
javajs.api.GenericLineReader
public class XmlChemDrawReader extends XmlReader
An chem3d c3xml reader
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Field Summary
Fields Modifier and Type Field Description private javajs.util.Lst<java.lang.Object[]>bondsprivate booleanis3Dprivate floatmaxXprivate floatmaxYprivate floatmaxZprivate floatminXprivate floatminYprivate floatminZ(package private) booleanoptimize2Dprivate AtomwarningAtom-
Fields inherited from class org.jmol.adapter.readers.xml.XmlReader
atom, atts, bond, chars, keepChars, parent
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Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
addedData, addedDataKey, addVibrations, allow_a_len_1, allowPDBFilter, ANGSTROMS_PER_BOHR, applySymmetryToBonds, asc, baseAtomIndex, baseBondIndex, binaryDoc, bsFilter, bsModels, calculationType, CELL_TYPE_CONVENTIONAL, CELL_TYPE_PRIMITIVE, centroidPacked, continuing, debugging, desiredModelNumber, desiredSpaceGroupIndex, desiredVibrationNumber, doApplySymmetry, doCentralize, doCentroidUnitCell, doCheckUnitCell, doConvertToFractional, doPackUnitCell, doProcessLines, doReadMolecularOrbitals, dssr, fileName, fileOffset, filePath, fileScaling, fillRange, filter, filterAllHetero, filterCased, filterHetero, fixJavaFloat, forcePacked, getHeader, haveAtomFilter, haveModel, havePartialChargeFilter, htParams, ignoreFileSpaceGroupName, ignoreFileSymmetryOperators, ignoreFileUnitCell, ignoreStructure, iHaveFractionalCoordinates, iHaveSymmetryOperators, iHaveUnitCell, isBinary, isConcatenated, isDSSP1, isFinalized, isMolecular, isPrimitive, isSequential, isTrajectory, latticeCells, latticeScaling, latticeType, line, lstNCS, matUnitCellOrientation, merging, modDim, modelNumber, ms, mustFinalizeModelSet, next, noPack, out, packingError, paramsCentroid, paramsLattice, prevline, primitiveToCrystal, ptLine, ptSupercell, reader, readerName, requiresBSFilter, reverseModels, rotateHexCell, sgName, slabXY, stateScriptVersionInt, strSupercell, symmetry, templateAtomCount, thisBiomolecule, trajectorySteps, ucItems, unitCellOffset, unitCellParams, useAltNames, useFileModelNumbers, validation, vibrationNumber, vibsFractional, vwr
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Constructor Summary
Constructors Constructor Description XmlChemDrawReader()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description private voidcenter()protected voidfinalizeSubclassReader()optional reader-specific method run first.private voidfixConnections()(package private) voidprocessEndElement(java.lang.String localName)voidprocessStartElement(java.lang.String localName, java.lang.String nodeName)protected voidprocessXml(XmlReader parent, java.lang.Object saxReader)private voidsetAtom(java.lang.String key)-
Methods inherited from class org.jmol.adapter.readers.xml.XmlReader
applySymmetryAndSetTrajectory, createDomNodeJS, endDocument, initCML, initializeReader, processDOM, processXml2, setKeepChars
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Methods inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
addAtomXYZSymName, addExplicitLatticeVector, addJmolScript, addSites, addSiteScript, appendLoadNote, appendUunitCellInfo, applySymTrajASCR, checkAndRemoveFilterKey, checkCurrentLineForScript, checkFilterKey, checkLastModel, checkLine, checkLineForScript, clearUnitCell, cloneLastAtomSet, discardLinesUntilBlank, discardLinesUntilContains, discardLinesUntilContains2, discardLinesUntilNonBlank, discardLinesUntilStartsWith, discardPreviousAtoms, doGetModel, doGetVibration, doPreSymmetry, fill3x3, fillDataBlock, fillDataBlockFixed, fillFloatArray, fillFrequencyData, filterAtom, filterReject, finalizeMOData, finalizeModelSet, finalizeReaderASCR, finalizeSubclassSymmetry, forceSymmetry, fractionalizeCoordinates, getElementSymbol, getFilter, getFilterWithCase, getFortranFormatLengths, getInterface, getNewSymmetry, getStrings, getSymmetry, getTokens, getTokensFloat, initializeSymmetry, initializeSymmetryOptions, initializeTrajectoryFile, isLastModel, newAtomSet, parseFloat, parseFloatRange, parseFloatStr, parseInt, parseIntAt, parseIntRange, parseIntStr, parseToken, parseTokenNext, parseTokenRange, parseTokenStr, processBinaryDocument, rd, read3Vectors, readDataObject, readLines, readNextLine, rejectAtomName, RL, set2D, setAtomCoord, setAtomCoordScaled, setAtomCoordTokens, setAtomCoordXYZ, setChainID, setElementAndIsotope, setFilter, setFilterAtomTypeStr, setFractionalCoordinates, setIsPDB, setLoadNote, setModelPDB, setSpaceGroupName, setSymmetryOperator, setTransform, setUnitCell, setUnitCellItem, setup, setupASCR
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Field Detail
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optimize2D
boolean optimize2D
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minX
private float minX
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minY
private float minY
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minZ
private float minZ
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maxZ
private float maxZ
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maxY
private float maxY
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maxX
private float maxX
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is3D
private boolean is3D
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bonds
private javajs.util.Lst<java.lang.Object[]> bonds
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warningAtom
private Atom warningAtom
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Method Detail
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processXml
protected void processXml(XmlReader parent, java.lang.Object saxReader) throws java.lang.Exception
- Overrides:
processXmlin classXmlReader- Throws:
java.lang.Exception
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processStartElement
public void processStartElement(java.lang.String localName, java.lang.String nodeName)- Overrides:
processStartElementin classXmlReadernodeName- TODO
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setAtom
private void setAtom(java.lang.String key)
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processEndElement
void processEndElement(java.lang.String localName)
- Overrides:
processEndElementin classXmlReader
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finalizeSubclassReader
protected void finalizeSubclassReader() throws java.lang.ExceptionDescription copied from class:AtomSetCollectionReaderoptional reader-specific method run first.- Overrides:
finalizeSubclassReaderin classXmlReader- Throws:
java.lang.Exception
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fixConnections
private void fixConnections()
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center
private void center()
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