|
|||||||||
PREV CLASS NEXT CLASS | FRAMES NO FRAMES | ||||||||
SUMMARY: NESTED | FIELD | CONSTR | METHOD | DETAIL: FIELD | CONSTR | METHOD |
java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.more.GamessReader
org.jmol.adapter.readers.more.GamessUSReader
public class GamessUSReader
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 java.lang.Object |
---|
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Constructor Detail |
---|
public GamessUSReader()
Method Detail |
---|
public AtomSetCollection readAtomSetCollection(java.io.BufferedReader reader)
readAtomSetCollection
in class GamessReader
protected void readAtomsInBohrCoordinates() throws java.lang.Exception
readAtomsInBohrCoordinates
in class GamessReader
java.lang.Exception
private void readAtomsInAngstromCoordinates() throws java.lang.Exception
java.lang.Exception
protected java.lang.String fixShellTag(java.lang.String tag)
fixShellTag
in class GamessReader
protected void getMOHeader(java.lang.String[] tokens, java.util.Hashtable[] mos, int nThisLine) throws java.lang.Exception
getMOHeader
in class GamessReader
java.lang.Exception
|
|||||||||
PREV CLASS NEXT CLASS | FRAMES NO FRAMES | ||||||||
SUMMARY: NESTED | FIELD | CONSTR | METHOD | DETAIL: FIELD | CONSTR | METHOD |