public class SpartanSmolReader extends SpartanInputReader
Modifier and Type | Field and Description |
---|---|
private java.lang.String |
endCheck |
private boolean |
espCharges |
private boolean |
haveCharges |
private boolean |
iHaveModelStatement |
(package private) boolean |
isCompoundDocument |
private java.util.Hashtable |
moData |
(package private) SpartanArchive |
spartanArchive |
private java.lang.String |
title |
(package private) java.util.Hashtable |
titles |
atomCount, bondData, constraints, modelAtomCount, modelName
addVibrations, ANGSTROMS_PER_BOHR, applySymmetryToBonds, atomSetCollection, bsFilter, bsModels, calculationType, continuing, desiredModelNumber, desiredVibrationNumber, doApplySymmetry, doCheckUnitCell, doProcessLines, filter, getHeader, haveModel, havePartialChargeFilter, htParams, ignoreFileSpaceGroupName, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveSymmetryOperators, iHaveUnitCell, isSequential, isTrajectory, latticeCells, line, matUnitCellOrientation, modelNumber, next, notionalUnitCell, os, prevline, ptLine, reader, readerName, readMolecularOrbitals, spaceGroup, symmetry, templateAtomCount, vibrationNumber, viewer
Constructor and Description |
---|
SpartanSmolReader() |
Modifier and Type | Method and Description |
---|---|
private float |
bytesToDoubleToFloat(byte[] bytes,
int j) |
protected boolean |
checkLine() |
protected void |
finalizeReader() |
private int |
getModelNumber() |
protected void |
initializeReader() |
private void |
readArchive() |
private boolean |
readArchiveHeader() |
private void |
readOutput() |
private void |
readProperties() |
private void |
readTransform() |
private void |
setCharges() |
readInputRecords
addJmolScript, addPrimitiveLatticeVector, addSites, addSiteScript, applySymmetryAndSetTrajectory, checkFilter, checkLastModel, checkLineForScript, checkLineForScript, clearLatticeParameters, cloneLastAtomSet, discardLines, discardLinesUntilBlank, discardLinesUntilContains, discardLinesUntilContains, discardLinesUntilNonBlank, discardLinesUntilStartsWith, doGetModel, doGetVibration, fillDataBlock, fillDataBlock, fillFloatArray, fillFrequencyData, filterAtom, 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, readAtomSetCollectionFromDOM, readData, readLine, set2D, setAtomCoord, setAtomCoord, setFilter, setFractionalCoordinates, setMOData, setSpaceGroupName, setSymmetryOperator, setTransform, setUnitCell, setUnitCellItem
private boolean iHaveModelStatement
private boolean espCharges
boolean isCompoundDocument
private java.lang.String endCheck
private java.util.Hashtable moData
private java.lang.String title
SpartanArchive spartanArchive
java.util.Hashtable titles
private boolean haveCharges
protected void initializeReader() throws java.lang.Exception
initializeReader
in class AtomSetCollectionReader
java.lang.Exception
protected boolean checkLine() throws java.lang.Exception
checkLine
in class AtomSetCollectionReader
java.lang.Exception
protected void finalizeReader() throws java.lang.Exception
finalizeReader
in class AtomSetCollectionReader
java.lang.Exception
private void readTransform() throws java.lang.Exception
java.lang.Exception
private float bytesToDoubleToFloat(byte[] bytes, int j)
private void readOutput() throws java.lang.Exception
java.lang.Exception
private void readArchive() throws java.lang.Exception
java.lang.Exception
private void setCharges()
private void readProperties() throws java.lang.Exception
java.lang.Exception
private int getModelNumber()
private boolean readArchiveHeader() throws java.lang.Exception
java.lang.Exception