Class XmlMOReader

All Implemented Interfaces:
javajs.api.GenericLineReader
Direct Known Subclasses:
XmlMolproReader

public abstract class XmlMOReader extends XmlCmlReader
An abstract class accessing MOReader -- currently just for XmlMolproReader only. Several assumptions here.
Author:
hansonr Bob Hanson hansonr@stolaf.edu
  • Field Details

    • moReader

      private MOReader moReader
    • skipMOs

      private boolean skipMOs
    • htSlaterIDs

      private Map<String,int[]> htSlaterIDs
    • basisData

      private javajs.util.Lst<float[]> basisData
    • basisId

      private String basisId
    • isSpherical

      private boolean isSpherical
    • minL

      private int minL
    • maxL

      private int maxL
    • basisIds

      private String[] basisIds
    • basisAtoms

      private String[] basisAtoms
    • orbOcc

      private float orbOcc
    • orbEnergy

      private float orbEnergy
    • gaussianCount

      private int gaussianCount
    • slaterCount

      private int slaterCount
    • coefCount

      private int coefCount
    • groupCount

      private int groupCount
    • lstGaussians

      private javajs.util.Lst<javajs.util.Lst<float[]>> lstGaussians
    • moCount

      private int moCount
    • calcType

      private String calcType
    • iModelMO

      private int iModelMO
    • dclist

      protected String dclist
    • dslist

      protected String dslist
    • fclist

      protected String fclist
    • fslist

      protected String fslist
    • iHaveCoefMaps

      protected boolean iHaveCoefMaps
    • maxContraction

      private int maxContraction
  • Constructor Details

    • XmlMOReader

      public XmlMOReader()
  • Method Details

    • processXml

      protected void processXml(XmlReader parent, Object saxReader) throws Exception
      Description copied from class: XmlCmlReader
      the current state
      Overrides:
      processXml in class XmlCmlReader
      Parameters:
      parent -
      saxReader -
      Throws:
      Exception
    • processStartMO

      protected boolean processStartMO(String localName)
    • processEndMO

      protected boolean processEndMO(String localName)
    • buildSlaters

      private void buildSlaters()
    • getXlink

      private String[] getXlink(String href, String key, boolean addMoleculeID)