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

All Implemented Interfaces:

javajs.api.GenericLineReader
```
public class XmlVaspReader
extends XmlReader
```
Vasp vasprun.xml reader

Author:

hansonr

Field Summary

Fields
Modifier and Type	Field	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`	`name`

Fields inherited from class org.jmol.adapter.readers.xml.XmlReader
atom, atts, chars, keepChars, parent

Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
addedData, addedDataKey, addVibrations, allowPDBFilter, ANGSTROMS_PER_BOHR, applySymmetryToBonds, asc, baseAtomIndex, binaryDoc, bsFilter, bsModels, calculationType, continuing, debugging, desiredModelNumber, desiredSpaceGroupIndex, desiredVibrationNumber, doApplySymmetry, doCentralize, doCheckUnitCell, doConvertToFractional, doPackUnitCell, doProcessLines, doReadMolecularOrbitals, dssr, fileName, fileOffset, filePath, fileScaling, fillRange, filter, filterHetero, fixJavaFloat, forcePacked, getHeader, haveAtomFilter, haveModel, havePartialChargeFilter, htParams, ignoreFileSpaceGroupName, ignoreFileSymmetryOperators, ignoreFileUnitCell, ignoreStructure, iHaveFractionalCoordinates, iHaveSymmetryOperators, iHaveUnitCell, isBinary, isConcatenated, isDSSP1, isFinalized, isMolecular, isSequential, isTrajectory, latticeCells, latticeScaling, line, lstNCS, matUnitCellOrientation, modelNumber, ms, mustFinalizeModelSet, next, out, packingError, prevline, ptLine, ptSupercell, reader, readerName, reverseModels, sgName, stateScriptVersionInt, strSupercell, symmetry, templateAtomCount, thisBiomolecule, trajectorySteps, unitCellOffset, unitCellParams, useAltNames, useFileModelNumbers, validation, vibrationNumber, vibsFractional, vwr

Constructor Summary

Constructors
Constructor Description

XmlVaspReader()

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`(package private) void`	`processEndElement(java.lang.String localName)`
`void`	`processStartElement(java.lang.String localName, java.lang.String nodeName)`
`protected void`	`processXml(XmlReader parent, java.lang.Object saxReader)`

Methods inherited from class org.jmol.adapter.readers.xml.XmlReader
applySymmetryAndSetTrajectory, createDomNodeJS, endDocument, initCML, initializeReader, processDOM, processXml2, setKeepChars

Methods inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
addAtomXYZSymName, addJmolScript, addPrimitiveLatticeVector, addSites, addSiteScript, appendLoadNote, appendUunitCellInfo, applySymTrajASCR, checkCurrentLineForScript, checkFilterKey, checkLastModel, checkLine, checkLineForScript, clearUnitCell, cloneLastAtomSet, discardLinesUntilBlank, discardLinesUntilContains, discardLinesUntilContains2, discardLinesUntilNonBlank, discardLinesUntilStartsWith, discardPreviousAtoms, doGetModel, doGetVibration, doPreSymmetry, fillDataBlock, fillDataBlockFixed, fillFloatArray, fillFrequencyData, filterAtom, filterReject, finalizeMOData, finalizeModelSet, finalizeReaderASCR, finalizeSubclassReader, finalizeSubclassSymmetry, forceSymmetry, fractionalizeCoordinates, 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, 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

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

data
```
private javajs.util.SB data
```

name
```
private java.lang.String name
```

ac
```
private int ac
```

iAtom
```
private int iAtom
```

isE_wo_entrp
```
private boolean isE_wo_entrp
```

isE_fr_energy
```
private boolean isE_fr_energy
```

enthalpy
```
private java.lang.String enthalpy
```

gibbsEnergy
```
private 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
```
public XmlVaspReader()
```

Method Detail

processXml

protected void processXml(XmlReader parent,
                          java.lang.Object saxReader)
                   throws java.lang.Exception

Overrides:: processXml in class XmlReader
Throws:: java.lang.Exception

processStartElement

public void processStartElement(java.lang.String localName,
                                java.lang.String nodeName)

Overrides:: processStartElement in class XmlReader; nodeName - TODO

processEndElement
```
void processEndElement(java.lang.String localName)
```
Overrides:

processEndElement in class XmlReader

Class XmlVaspReader

Field Summary

Fields inherited from class org.jmol.adapter.readers.xml.XmlReader

Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader

Constructor Summary

Method Summary

Methods inherited from class org.jmol.adapter.readers.xml.XmlReader

Methods inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader

Methods inherited from class java.lang.Object

Field Detail

data

name

ac

iAtom

isE_wo_entrp

isE_fr_energy

enthalpy

gibbsEnergy

haveUnitCell

atomNames

atomSyms

atomName

atomSym

a

b

c

alpha

beta

gamma

Constructor Detail

XmlVaspReader

Method Detail

processXml

processStartElement

processEndElement