org.jmol.adapter.readers.xml
public class XmlVaspReader extends XmlReader
Modifier and Type | Class and Description |
---|---|
(package private) class |
XmlVaspReader.VaspHandler |
XmlReader.DummyResolver, XmlReader.JmolXmlHandler
Modifier and Type | Field and Description |
---|---|
(package private) float |
a |
(package private) float |
alpha |
(package private) int |
atomCount |
(package private) String |
atomName |
(package private) String[] |
atomNames |
(package private) String |
atomSym |
(package private) String[] |
atomSyms |
(package private) float |
b |
(package private) float |
beta |
(package private) float |
c |
(package private) StringBuffer |
data |
(package private) String |
enthalpy |
(package private) float |
gamma |
(package private) String |
gibbsEnergy |
(package private) boolean |
haveUnitCell |
(package private) int |
iAtom |
(package private) boolean |
isE_fr_energy |
(package private) boolean |
isE_wo_entrp |
(package private) boolean |
modelRead |
(package private) String |
name |
(package private) boolean |
readThisModel |
(package private) String[] |
vaspImplementedAttributes |
atom, chars, implementedAttributes, keepChars, parent
addVibrations, ANGSTROMS_PER_BOHR, applySymmetryToBonds, atomSetCollection, bsFilter, bsModels, calculationType, continuing, desiredModelNumber, desiredVibrationNumber, doApplySymmetry, doc, doCheckUnitCell, doPackUnitCell, doProcessLines, filter, filterHetero, getHeader, haveModel, havePartialChargeFilter, htParams, ignoreFileSpaceGroupName, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveFractionalCoordinates, iHaveSymmetryOperators, iHaveUnitCell, isBinary, isSequential, isTrajectory, latticeCells, line, matUnitCellOrientation, modelNumber, next, notionalUnitCell, os, prevline, ptLine, reader, readerName, readMolecularOrbitals, spaceGroup, stateScriptVersionInt, supercell, symmetry, templateAtomCount, useAltNames, vibrationNumber, viewer
Constructor and Description |
---|
XmlVaspReader() |
Modifier and Type | Method and Description |
---|---|
void |
processEndElement(String uri,
String localName,
String qName) |
void |
processStartElement(String namespaceURI,
String localName,
String qName,
Map<String,String> atts) |
protected void |
processXml(XmlReader parent,
AtomSetCollection atomSetCollection,
BufferedReader reader,
netscape.javascript.JSObject DOMNode) |
protected void |
processXml(XmlReader parent,
AtomSetCollection atomSetCollection,
BufferedReader reader,
XMLReader xmlReader) |
initializeReader, parseReaderXML, processXml, setKeepChars
addJmolScript, addPrimitiveLatticeVector, addSites, addSiteScript, appendLoadNote, applySymmetryAndSetTrajectory, 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, isLastModel, newAtomSet, parseFloat, parseFloat, parseFloat, parseInt, parseInt, parseInt, parseInt, parseStringInfestedFloatArray, parseToken, parseToken, parseToken, parseTokenNext, parseTrimmed, parseTrimmed, processBinaryDocument, read3Vectors, readData, readLine, readLines, set2D, setAtomCoord, setAtomCoord, setFilter, setFractionalCoordinates, setIsPDB, setMOData, setPdb, setSpaceGroupName, setSymmetryOperator, setTransform, setUnitCell, setUnitCellItem
String[] vaspImplementedAttributes
StringBuffer data
String name
int atomCount
int iAtom
boolean modelRead
boolean readThisModel
boolean isE_wo_entrp
boolean isE_fr_energy
String enthalpy
String gibbsEnergy
boolean haveUnitCell
String[] atomNames
String[] atomSyms
String atomName
String atomSym
float a
float b
float c
float alpha
float beta
float gamma
protected void processXml(XmlReader parent, AtomSetCollection atomSetCollection, BufferedReader reader, XMLReader xmlReader)
processXml
in class XmlReader
protected void processXml(XmlReader parent, AtomSetCollection atomSetCollection, BufferedReader reader, netscape.javascript.JSObject DOMNode)
processXml
in class XmlReader
public void processStartElement(String namespaceURI, String localName, String qName, Map<String,String> atts)
processStartElement
in class XmlReader
public void processEndElement(String uri, String localName, String qName)
processEndElement
in class XmlReader