public class XmlVaspReader extends XmlReader
Modifier and Type | Field and Description |
---|---|
(package private) float |
a |
private int |
ac |
(package private) float |
alpha |
(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 |
private javajs.util.SB |
data |
private String |
enthalpy |
(package private) float |
gamma |
private String |
gibbsEnergy |
(package private) boolean |
haveUnitCell |
private int |
iAtom |
private boolean |
isE_fr_energy |
private boolean |
isE_wo_entrp |
private String |
name |
atom, atts, chars, keepChars, parent
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 and Description |
---|
XmlVaspReader() |
Modifier and Type | Method and Description |
---|---|
(package private) void |
processEndElement(String localName) |
void |
processStartElement(String localName,
String nodeName) |
protected void |
processXml(XmlReader parent,
Object saxReader) |
applySymmetryAndSetTrajectory, createDomNodeJS, endDocument, initCML, initializeReader, processDOM, processXml2, setKeepChars
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
private javajs.util.SB data
private String name
private int ac
private int iAtom
private boolean isE_wo_entrp
private boolean isE_fr_energy
private String enthalpy
private 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, Object saxReader) throws Exception
processXml
in class XmlReader
Exception
public void processStartElement(String localName, String nodeName)
processStartElement
in class XmlReader
nodeName
- TODOvoid processEndElement(String localName)
processEndElement
in class XmlReader