org.jmol.adapter.readers.more
Class WebMOReader

java.lang.Object
  extended by org.jmol.adapter.smarter.AtomSetCollectionReader
      extended by org.jmol.adapter.readers.more.MopacDataReader
          extended by 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.


Field Summary
 
Fields inherited from class org.jmol.adapter.readers.more.MopacDataReader
dValues, floatinfo, intinfo, MIN_COEF, moData, nOrbitals, orbitals
 
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
WebMOReader()
           
 
Method Summary
(package private)  void readAtomicOrbitalOrder()
           
(package private)  void readAtoms()
           
 AtomSetCollection readAtomSetCollection(java.io.BufferedReader reader)
           
(package private)  void readBonds()
           
(package private)  void readGaussianBasis()
           
(package private)  void readHeader()
           
(package private)  void readMolecularOrbital()
           
(package private)  void readSlaterBasis()
           
 
Methods inherited from class org.jmol.adapter.readers.more.MopacDataReader
addSlater, setMOs, setSlaters
 
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
 

Constructor Detail

WebMOReader

public WebMOReader()
Method Detail

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