Class InChIJNI

  • All Implemented Interfaces:
    JmolInChI

    public class InChIJNI
    extends java.lang.Object
    implements JmolInChI
    • Constructor Summary

      Constructors 
      Constructor Description
      InChIJNI()  
    • Method Summary

      All Methods Static Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      java.lang.String getInchi​(Viewer vwr, javajs.util.BS atoms, java.lang.String molData, java.lang.String options)  
      private static net.sf.jniinchi.INCHI_BOND_TYPE getOrder​(int order)  
      private java.lang.String getStructure​(net.sf.jniinchi.JniInchiStructure mol)  
      private static net.sf.jniinchi.JniInchiStructure newJniInchiStructure​(Viewer vwr, java.lang.String molData)
      Jmol addition to create a JniInchiStructure from MOL data.
      private static net.sf.jniinchi.JniInchiStructure newJniInchiStructure​(Viewer vwr, javajs.util.BS bsAtoms)
      Jmol addition to create a JniInchiStructure from Jmol atoms.
      private static java.lang.String toString​(net.sf.jniinchi.JniInchiStructure mol)  
      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
    • Constructor Detail

      • InChIJNI

        public InChIJNI()
    • Method Detail

      • getInchi

        public java.lang.String getInchi​(Viewer vwr,
                                         javajs.util.BS atoms,
                                         java.lang.String molData,
                                         java.lang.String options)
        Specified by:
        getInchi in interface JmolInChI
      • getStructure

        private java.lang.String getStructure​(net.sf.jniinchi.JniInchiStructure mol)
      • newJniInchiStructure

        private static net.sf.jniinchi.JniInchiStructure newJniInchiStructure​(Viewer vwr,
                                                                              javajs.util.BS bsAtoms)
        Jmol addition to create a JniInchiStructure from Jmol atoms. Currently only supports single, double, aromatic_single and aromatic_double.
        Parameters:
        vwr -
        bsAtoms -
        Returns:
        a structure for JniInput
      • newJniInchiStructure

        private static net.sf.jniinchi.JniInchiStructure newJniInchiStructure​(Viewer vwr,
                                                                              java.lang.String molData)
        Jmol addition to create a JniInchiStructure from MOL data. Currently only supports single, double, aromatic_single and aromatic_double.
        Parameters:
        vwr -
        molData -
        Returns:
        a structure for JniInput
      • getOrder

        private static net.sf.jniinchi.INCHI_BOND_TYPE getOrder​(int order)
      • toString

        private static java.lang.String toString​(net.sf.jniinchi.JniInchiStructure mol)