org.jmol.adapter.readers.more

Class MoldenReader

public class MoldenReader extends MopacDataReader

A molecular structure and orbital reader for MolDen files. See http://www.cmbi.ru.nl/molden/molden_format.html

Author: Matthew Zwier

Field Summary
protected AtomSetCollectionfreqAtomSet
protected float[]frequencies
Method Summary
voidreadAtoms()
AtomSetCollectionreadAtomSetCollection(BufferedReader reader)
voidreadFreqsAndModes()
voidreadGaussianBasis()
voidreadMolecularOrbitals()
String[]splitKeyValue()
String[]splitKeyValue(String sep)
String[]splitKeyValue(String sep, String text)

Field Detail

freqAtomSet

protected AtomSetCollection freqAtomSet

frequencies

protected float[] frequencies

Method Detail

readAtoms

void readAtoms()

readAtomSetCollection

public AtomSetCollection readAtomSetCollection(BufferedReader reader)

readFreqsAndModes

void readFreqsAndModes()

readGaussianBasis

void readGaussianBasis()

readMolecularOrbitals

void readMolecularOrbitals()

splitKeyValue

String[] splitKeyValue()

splitKeyValue

String[] splitKeyValue(String sep)

splitKeyValue

String[] splitKeyValue(String sep, String text)