org.jmol.adapter.readers.more
Class GamessUSReader

java.lang.Object
  extended by org.jmol.adapter.smarter.AtomSetCollectionReader
      extended by org.jmol.adapter.readers.more.GamessReader
          extended by org.jmol.adapter.readers.more.GamessUSReader

public class GamessUSReader
extends GamessReader


Field Summary
 
Fields inherited from class org.jmol.adapter.readers.more.GamessReader
atomCount, atomNames, calculationType, gaussianCount, moData, orbitals, shellCount
 
Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
ANGSTROMS_PER_BOHR, applySymmetryToBonds, atomSetCollection, desiredModelNumber, desiredSpaceGroupIndex, doApplySymmetry, filter, getHeader, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveDesiredModel, iHaveSymmetryOperators, iHaveUnitCell, latticeCells, line, modelNumber, needToApplySymmetry, next, notionalUnitCell, prevline, primitiveLatticeVectors, ptLine, reader, readerName, spaceGroup
 
Constructor Summary
GamessUSReader()
           
 
Method Summary
protected  java.lang.String fixShellTag(java.lang.String tag)
           
protected  void getMOHeader(java.lang.String[] tokens, java.util.Hashtable[] mos, int nThisLine)
           
 AtomSetCollection readAtomSetCollection(java.io.BufferedReader reader)
           
private  void readAtomsInAngstromCoordinates()
           
protected  void readAtomsInBohrCoordinates()
           
 
Methods inherited from class org.jmol.adapter.readers.more.GamessReader
fixBasisLine, readFrequencies, readGaussianBasis, readMolecularOrbitals
 
Methods inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
addJmolScript, addPrimitiveLatticeVector, addSites, applySymmetry, checkLineForScript, checkLineForScript, clearLatticeParameters, discardLines, discardLinesUntilBlank, discardLinesUntilContains, discardLinesUntilNonBlank, discardLinesUntilStartsWith, fillDataBlock, filterAtom, getElementSymbol, getStrings, getTokens, getTokens, getTokens, getTokensFloat, initialize, initialize, initializeCartesianToFractional, newAtomSet, parseFloat, parseFloat, parseFloat, parseInt, parseInt, parseInt, parseInt, parseToken, parseToken, parseToken, parseTokenNext, parseTrimmed, parseTrimmed, readAtomSetCollectionFromDOM, readLine, readLineTrimmed, setAtomCoord, setAtomCoord, setError, setFractionalCoordinates, setMOData, setSpaceGroupName, setSymmetryOperator, setUnitCell, setUnitCellItem
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

GamessUSReader

public GamessUSReader()
Method Detail

readAtomSetCollection

public AtomSetCollection readAtomSetCollection(java.io.BufferedReader reader)
Specified by:
readAtomSetCollection in class GamessReader

readAtomsInBohrCoordinates

protected void readAtomsInBohrCoordinates()
                                   throws java.lang.Exception
Specified by:
readAtomsInBohrCoordinates in class GamessReader
Throws:
java.lang.Exception

readAtomsInAngstromCoordinates

private void readAtomsInAngstromCoordinates()
                                     throws java.lang.Exception
Throws:
java.lang.Exception

fixShellTag

protected java.lang.String fixShellTag(java.lang.String tag)
Specified by:
fixShellTag in class GamessReader

getMOHeader

protected void getMOHeader(java.lang.String[] tokens,
                           java.util.Hashtable[] mos,
                           int nThisLine)
                    throws java.lang.Exception
Specified by:
getMOHeader in class GamessReader
Throws:
java.lang.Exception