org.jmol.adapter.readers.more
Class WebMOReader
java.lang.Object
org.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.more.MopacDataReader
org.jmol.adapter.readers.more.WebMOReader
public class WebMOReader
- extends MopacDataReader
A molecular orbital reader for WebMO files.
http://www.webmo.net/demo/
right now WebMO files don't allow for multiple MOS, but we will assume here that that may change.
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 |
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 |
WebMOReader
public WebMOReader()
readAtomSetCollection
public AtomSetCollection readAtomSetCollection(java.io.BufferedReader reader)
- Specified by:
readAtomSetCollection
in class MopacDataReader
readHeader
void readHeader()
throws java.lang.Exception
- Throws:
java.lang.Exception
readAtoms
void readAtoms()
throws java.lang.Exception
- Throws:
java.lang.Exception
readBonds
void readBonds()
throws java.lang.Exception
- Throws:
java.lang.Exception
readAtomicOrbitalOrder
void readAtomicOrbitalOrder()
throws java.lang.Exception
- Throws:
java.lang.Exception
readGaussianBasis
void readGaussianBasis()
throws java.lang.Exception
- Throws:
java.lang.Exception
readSlaterBasis
void readSlaterBasis()
throws java.lang.Exception
- Throws:
java.lang.Exception
readMolecularOrbital
void readMolecularOrbital()
throws java.lang.Exception
- Throws:
java.lang.Exception