org.jmol.adapter.readers.more

Class GamessReader

public abstract class GamessReader extends AtomSetCollectionReader

Field Summary
protected int	atomCount
protected Vector	atomNames
protected String	calculationType
protected int	gaussianCount
protected Hashtable	moData
protected Vector	orbitals
protected int	shellCount

Method Summary
protected static String	fixBasisLine(String line)
protected abstract String	fixShellTag(String tag)
protected abstract void	getMOHeader(String[] tokens, Hashtable[] mos, int nThisLine)
protected abstract void	readAtomsInBohrCoordinates()
abstract AtomSetCollection	readAtomSetCollection(BufferedReader reader)
void	readComponents(int count, float[] components)
protected void	readFrequencies()
protected void	readGaussianBasis(String initiator, String terminator)
protected void	readMolecularOrbitals()

Field Detail

atomCount

protected int atomCount

atomNames

protected Vector atomNames

calculationType

protected String calculationType

gaussianCount

protected int gaussianCount

moData

protected Hashtable moData

orbitals

protected Vector orbitals

shellCount

protected int shellCount

Method Detail

fixBasisLine

protected static String fixBasisLine(String line)

fixShellTag

protected abstract String fixShellTag(String tag)

getMOHeader

protected abstract void getMOHeader(String[] tokens, Hashtable[] mos, int nThisLine)

readAtomsInBohrCoordinates

protected abstract void readAtomsInBohrCoordinates()

readAtomSetCollection

public abstract AtomSetCollection readAtomSetCollection(BufferedReader reader)

readComponents

private void readComponents(int count, float[] components)

readFrequencies

protected void readFrequencies()

readGaussianBasis

protected void readGaussianBasis(String initiator, String terminator)

readMolecularOrbitals

protected void readMolecularOrbitals()