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 Detail

      • skipMOs

        private boolean skipMOs
      • htSlaterIDs

        private java.util.Map<java.lang.String,​int[]> htSlaterIDs
      • basisData

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

        private java.lang.String basisId
      • isSpherical

        private boolean isSpherical
      • minL

        private int minL
      • maxL

        private int maxL
      • basisIds

        private java.lang.String[] basisIds
      • basisAtoms

        private java.lang.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 java.lang.String calcType
      • iModelMO

        private int iModelMO
      • dclist

        protected java.lang.String dclist
      • dslist

        protected java.lang.String dslist
      • fclist

        protected java.lang.String fclist
      • fslist

        protected java.lang.String fslist
      • iHaveCoefMaps

        protected boolean iHaveCoefMaps
      • maxContraction

        private int maxContraction
    • Constructor Detail

      • XmlMOReader

        public XmlMOReader()
    • Method Detail

      • processXml

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

        protected boolean processStartMO​(java.lang.String localName)
      • processEndMO

        protected boolean processEndMO​(java.lang.String localName)
      • buildSlaters

        private void buildSlaters()
      • getXlink

        private java.lang.String[] getXlink​(java.lang.String href,
                                            java.lang.String key,
                                            boolean addMoleculeID)