org.jmol.adapter.readers.xml
Class XmlVaspReader

java.lang.Object
  extended by org.jmol.adapter.smarter.AtomSetCollectionReader
      extended by org.jmol.adapter.readers.xml.XmlReader
          extended by org.jmol.adapter.readers.xml.XmlVaspReader

public class XmlVaspReader
extends XmlReader

Vasp vasprun.xml reader

Author:
hansonr

Nested Class Summary
(package private)  class XmlVaspReader.VaspHandler
           
 
Nested classes/interfaces inherited from class org.jmol.adapter.readers.xml.XmlReader
XmlReader.DummyResolver, XmlReader.JmolXmlHandler
 
Field Summary
(package private)  float a
           
(package private)  float alpha
           
(package 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
           
(package private)  java.lang.StringBuffer data
           
(package private)  java.lang.String enthalpy
           
(package private)  float gamma
           
(package private)  java.lang.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)  java.lang.String name
           
(package private)  boolean readThisModel
           
(package private)  java.lang.String[] vaspImplementedAttributes
           
 
Fields inherited from class org.jmol.adapter.readers.xml.XmlReader
atom, chars, implementedAttributes, keepChars, parent
 
Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
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 Summary
XmlVaspReader()
           
 
Method Summary
 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, netscape.javascript.JSObject DOMNode)
           
protected  void processXml(XmlReader parent, AtomSetCollection atomSetCollection, java.io.BufferedReader reader, org.xml.sax.XMLReader xmlReader)
           
 
Methods inherited from class org.jmol.adapter.readers.xml.XmlReader
initializeReader, parseReaderXML, processXml, setKeepChars
 
Methods inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
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
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

vaspImplementedAttributes

java.lang.String[] vaspImplementedAttributes

data

java.lang.StringBuffer data

name

java.lang.String name

atomCount

int atomCount

iAtom

int iAtom

modelRead

boolean modelRead

readThisModel

boolean readThisModel

isE_wo_entrp

boolean isE_wo_entrp

isE_fr_energy

boolean isE_fr_energy

enthalpy

java.lang.String enthalpy

gibbsEnergy

java.lang.String gibbsEnergy

haveUnitCell

boolean haveUnitCell

atomNames

java.lang.String[] atomNames

atomSyms

java.lang.String[] atomSyms

atomName

java.lang.String atomName

atomSym

java.lang.String atomSym

a

float a

b

float b

c

float c

alpha

float alpha

beta

float beta

gamma

float gamma
Constructor Detail

XmlVaspReader

XmlVaspReader()
Method Detail

processXml

protected void processXml(XmlReader parent,
                          AtomSetCollection atomSetCollection,
                          java.io.BufferedReader reader,
                          org.xml.sax.XMLReader xmlReader)
Overrides:
processXml in class XmlReader

processXml

protected void processXml(XmlReader parent,
                          AtomSetCollection atomSetCollection,
                          java.io.BufferedReader reader,
                          netscape.javascript.JSObject DOMNode)
Overrides:
processXml in class XmlReader

processStartElement

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)
Overrides:
processStartElement in class XmlReader

processEndElement

public void processEndElement(java.lang.String uri,
                              java.lang.String localName,
                              java.lang.String qName)
Overrides:
processEndElement in class XmlReader