org.jmol.adapter.readers.more

Class JaguarReader

public class JaguarReader extends AtomSetCollectionReader

Jaguar reader tested for the two samples files in CVS. Both these files were created with Jaguar version 4.0, release 20.

Field Summary
int	atomCount
int	gaussianCount
float	lumoEnergy
int	moCount
Hashtable	moData
Vector	orbitals

Method Summary
void	readAtoms()
AtomSetCollection	readAtomSetCollection(BufferedReader reader)
void	readBasis()
void	readBasisNormalized()
void	readCharges()
void	readFrequencies()
void	readMolecularOrbitals()
void	recordAtomVector(int modelNumber, int atomCenterNumber, float x, float y, float z)

Field Detail

atomCount

int atomCount

gaussianCount

int gaussianCount

lumoEnergy

float lumoEnergy

moCount

int moCount

moData

Hashtable moData

orbitals

Vector orbitals

Method Detail

readAtoms

private void readAtoms()

readAtomSetCollection

public AtomSetCollection readAtomSetCollection(BufferedReader reader)

readBasis

void readBasis()

readBasisNormalized

void readBasisNormalized()

readCharges

private void readCharges()

readFrequencies

private void readFrequencies()

readMolecularOrbitals

private void readMolecularOrbitals()

recordAtomVector

private void recordAtomVector(int modelNumber, int atomCenterNumber, float x, float y, float z)