public class XmlVaspReader extends XmlReader
Modifier and Type | Field and Description |
---|---|
(package private) float |
a |
private int |
ac |
(package private) float |
alpha |
(package private) java.lang.String |
atomName |
(package private) java.lang.String[] |
atomNames |
(package private) java.lang.String |
atomSym |
(package private) java.lang.String[] |
atomSyms |
(package private) float |
b |
(package private) float |
beta |
(package private) float |
c |
private javajs.util.SB |
data |
private java.lang.String |
enthalpy |
(package private) float |
gamma |
private java.lang.String |
gibbsEnergy |
(package private) boolean |
haveUnitCell |
private int |
iAtom |
private boolean |
isE_fr_energy |
private boolean |
isE_wo_entrp |
private java.lang.String[] |
myAttributes |
private java.lang.String |
name |
atom, atts, chars, domAttributes, keepChars, parent
addedData, addedDataKey, addVibrations, allowPDBFilter, ANGSTROMS_PER_BOHR, applySymmetryToBonds, asc, baseAtomIndex, binaryDoc, bsFilter, bsModels, calculationType, continuing, desiredModelNumber, desiredSpaceGroupIndex, desiredVibrationNumber, doApplySymmetry, doCentralize, doCheckUnitCell, doPackUnitCell, doProcessLines, doReadMolecularOrbitals, fileName, fileOffset, filePath, fileScaling, filter, filterHetero, fixJavaFloat, forcePacked, getHeader, haveModel, havePartialChargeFilter, htParams, ignoreFileSpaceGroupName, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveFractionalCoordinates, iHaveSymmetryOperators, iHaveUnitCell, isBinary, isConcatenated, isSequential, isTrajectory, latticeCells, line, matUnitCellOrientation, modelNumber, ms, mustFinalizeModelSet, next, notionalUnitCell, out, packingError, prevline, ptLine, ptSupercell, reader, readerName, reverseModels, sgName, stateScriptVersionInt, strSupercell, symmetry, templateAtomCount, trajectorySteps, useAltNames, validation, vibrationNumber, vibsFractional, vwr
Constructor and Description |
---|
XmlVaspReader() |
Modifier and Type | Method and Description |
---|---|
protected java.lang.String[] |
getDOMAttributes() |
(package private) void |
processEndElement(java.lang.String localName) |
void |
processStartElement(java.lang.String localName) |
protected void |
processXml(XmlReader parent,
java.lang.Object saxReader) |
applySymmetryAndSetTrajectory, initializeReader, processDOM, PX, setKeepChars
addAtomXYZSymName, addJmolScript, addPrimitiveLatticeVector, addSites, addSiteScript, appendLoadNote, appendUunitCellInfo, applySymTrajASCR, checkCurrentLineForScript, checkFilterKey, checkLastModel, checkLine, checkLineForScript, clearUnitCell, cloneLastAtomSet, discardLinesUntilBlank, discardLinesUntilContains, discardLinesUntilContains2, discardLinesUntilNonBlank, discardLinesUntilStartsWith, doGetModel, doGetVibration, doPreSymmetry, fillDataBlock, fillDataBlockFixed, fillFloatArray, fillFrequencyData, filterAtom, filterReject, finalizeMOData, finalizeModelSet, finalizeReaderASCR, finalizeSubclassReader, finalizeSubclassSymmetry, forceSymmetry, getElementSymbol, getFilter, getFortranFormatLengths, getInterface, getNewSymmetry, getStrings, getSymmetry, getTokens, getTokensFloat, initializeSymmetry, initializeSymmetryOptions, initializeTrajectoryFile, isLastModel, newAtomSet, parseFloat, parseFloatRange, parseFloatStr, parseInt, parseIntAt, parseIntRange, parseIntStr, parseToken, parseTokenNext, parseTokenRange, parseTokenStr, processBinaryDocument, processDSSR, 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
private javajs.util.SB data
private java.lang.String name
private int ac
private int iAtom
private boolean isE_wo_entrp
private boolean isE_fr_energy
private java.lang.String enthalpy
private java.lang.String gibbsEnergy
private java.lang.String[] myAttributes
boolean haveUnitCell
java.lang.String[] atomNames
java.lang.String[] atomSyms
java.lang.String atomName
java.lang.String atomSym
float a
float b
float c
float alpha
float beta
float gamma
protected java.lang.String[] getDOMAttributes()
getDOMAttributes
in class XmlReader
protected void processXml(XmlReader parent, java.lang.Object saxReader) throws java.lang.Exception
processXml
in class XmlReader
java.lang.Exception
public void processStartElement(java.lang.String localName)
processStartElement
in class XmlReader
void processEndElement(java.lang.String localName)
processEndElement
in class XmlReader