public class XmlVaspReader extends XmlReader
XmlReader.DummyResolver, XmlReader.JmolXmlHandler
Modifier and Type | Field and Description |
---|---|
(package private) float |
a |
(package private) float |
alpha |
private int |
atomCount |
(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 java.lang.StringBuffer |
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 |
name |
(package private) java.lang.String[] |
vaspImplementedAttributes |
atom, chars, implementedAttributes, keepChars, parent
addVibrations, ANGSTROMS_PER_BOHR, applySymmetryToBonds, atomSetCollection, bsFilter, bsModels, calculationType, continuing, desiredModelNumber, desiredVibrationNumber, doApplySymmetry, doc, doCentralize, doCheckUnitCell, doPackUnitCell, doProcessLines, fileName, fileOffset, filePath, fileScaling, filter, filterHetero, getHeader, haveModel, havePartialChargeFilter, htParams, ignoreFileSpaceGroupName, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveFractionalCoordinates, iHaveSymmetryOperators, iHaveUnitCell, isBinary, isSequential, isTrajectory, latticeCells, line, matUnitCellOrientation, modelNumber, next, notionalUnitCell, os, prevline, ptLine, ptSupercell, reader, readerName, readMolecularOrbitals, reverseModels, spaceGroup, stateScriptVersionInt, strSupercell, symmetry, templateAtomCount, trajectorySteps, useAltNames, vibrationNumber, viewer
Constructor and Description |
---|
XmlVaspReader() |
Modifier and Type | Method and Description |
---|---|
protected java.lang.String[] |
getImplementedAttributes() |
void |
processEndElement(java.lang.String uri,
java.lang.String localName,
java.lang.String qName) |
void |
processStartElement(java.lang.String namespaceURI,
java.lang.String localName,
java.lang.String qName,
java.util.Map<java.lang.String,java.lang.String> atts) |
protected void |
processXml(XmlReader parent,
AtomSetCollection atomSetCollection,
java.io.BufferedReader reader,
java.lang.Object xmlReader,
XmlReader.JmolXmlHandler handler) |
applySymmetryAndSetTrajectory, getHandler, initializeReader, parseReaderXML, processXml, setKeepChars
addJmolScript, addPrimitiveLatticeVector, addSites, addSiteScript, appendLoadNote, checkFilter, checkLastModel, checkLine, checkLineForScript, checkLineForScript, clearUnitCell, cloneLastAtomSet, discardLinesUntilBlank, discardLinesUntilContains, discardLinesUntilContains, discardLinesUntilNonBlank, discardLinesUntilStartsWith, doGetModel, doGetVibration, fillDataBlock, fillDataBlock, fillFloatArray, fillFrequencyData, filterAtom, finalizeReader, getElementSymbol, getFortranFormatLengths, getStrings, getSymmetry, getTokens, getTokens, getTokens, getTokensFloat, initializeSymmetry, initializeTrajectoryFile, isLastModel, newAtomSet, parseFloat, parseFloat, parseFloat, parseInt, parseInt, parseInt, parseInt, parseStringInfestedFloatArray, parseToken, parseToken, parseToken, parseTokenNext, parseTrimmed, parseTrimmed, processBinaryDocument, read3Vectors, readData, readLine, readLines, set2D, setAtomCoord, setAtomCoord, setElementAndIsotope, setFilter, setFractionalCoordinates, setIsPDB, setMOData, setPdb, setSpaceGroupName, setSymmetryOperator, setTransform, setUnitCell, setUnitCellItem
java.lang.String[] vaspImplementedAttributes
private java.lang.StringBuffer data
private java.lang.String name
private int atomCount
private int iAtom
private boolean isE_wo_entrp
private boolean isE_fr_energy
private java.lang.String enthalpy
private java.lang.String gibbsEnergy
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[] getImplementedAttributes()
getImplementedAttributes
in class XmlReader
protected void processXml(XmlReader parent, AtomSetCollection atomSetCollection, java.io.BufferedReader reader, java.lang.Object xmlReader, XmlReader.JmolXmlHandler handler)
processXml
in class XmlReader
public void processStartElement(java.lang.String namespaceURI, java.lang.String localName, java.lang.String qName, java.util.Map<java.lang.String,java.lang.String> atts)
processStartElement
in class XmlReader
public void processEndElement(java.lang.String uri, java.lang.String localName, java.lang.String qName)
processEndElement
in class XmlReader