org.jmol.adapter.readers.more
Class MopacDataReader

java.lang.Object
  extended by org.jmol.adapter.smarter.AtomSetCollectionReader
      extended by org.jmol.adapter.readers.more.MopacDataReader
Direct Known Subclasses:
CsfReader, MoldenReader, MopacGraphfReader, WebMOReader

abstract class MopacDataReader
extends AtomSetCollectionReader

Author:
hansonr

Field Summary
protected static int[] dValues
           
protected  java.util.Vector floatinfo
           
protected  java.util.Vector intinfo
           
protected static float MIN_COEF
           
protected  java.util.Hashtable moData
           
protected  int nOrbitals
           
protected  java.util.Vector orbitals
           
 
Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
ANGSTROMS_PER_BOHR, applySymmetryToBonds, atomSetCollection, bsFilter, bsModels, calculationType, doApplySymmetry, filter, getHeader, haveAtomFilter, havePartialChargeFilter, htParams, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveSymmetryOperators, iHaveUnitCell, isTrajectory, latticeCells, line, modelNumber, needToApplySymmetry, next, prevline, reader, readerName, spaceGroup, templateAtomCount
 
Constructor Summary
MopacDataReader()
           
 
Method Summary
protected  void addSlater(int i0, int i1, int i2, int i3, int i4, float zeta, float coef)
           
abstract  void readAtomSetCollection(java.io.BufferedReader reader)
           
protected  void setMOs(java.lang.String units)
           
protected  void setSlaters()
           
 
Methods inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
addJmolScript, addPrimitiveLatticeVector, addSites, applySymmetryAndSetTrajectory, checkLineForScript, checkLineForScript, clearLatticeParameters, deducePdbElementSymbol, discardLines, discardLinesUntilBlank, discardLinesUntilContains, discardLinesUntilNonBlank, discardLinesUntilStartsWith, doGetModel, fillDataBlock, filterAtom, filterAtom, getElementSymbol, getStrings, getTokens, getTokens, getTokens, getTokensFloat, isLastModel, newAtomSet, parseFloat, parseFloat, parseFloat, parseInt, parseInt, parseInt, parseInt, parseToken, parseToken, parseToken, parseTokenNext, parseTrimmed, parseTrimmed, readAtomSetCollectionFromDOM, readData, readData, readLine, readLineTrimmed, setAtomCoord, setAtomCoord, setError, setFractionalCoordinates, setMOData, 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

MIN_COEF

protected static final float MIN_COEF
See Also:
Constant Field Values

moData

protected final java.util.Hashtable moData

nOrbitals

protected int nOrbitals

intinfo

protected final java.util.Vector intinfo

floatinfo

protected final java.util.Vector floatinfo

orbitals

protected final java.util.Vector orbitals

dValues

protected static final int[] dValues
Constructor Detail

MopacDataReader

MopacDataReader()
Method Detail

readAtomSetCollection

public abstract void readAtomSetCollection(java.io.BufferedReader reader)
Specified by:
readAtomSetCollection in class AtomSetCollectionReader

addSlater

protected final void addSlater(int i0,
                               int i1,
                               int i2,
                               int i3,
                               int i4,
                               float zeta,
                               float coef)

setSlaters

protected final void setSlaters()

setMOs

protected final void setMOs(java.lang.String units)