Class InchiPruner


  • public class InchiPruner
    extends java.lang.Object
    • Constructor Summary

      Constructors 
      Constructor Description
      InchiPruner()  
    • Method Summary

      All Methods Static Methods Concrete Methods 
      Modifier and Type Method Description
      static java.lang.String mainAndChargeLayers​(java.lang.String inchi)
      Return a modified version of the given InChI where the: stereochemistry, fixed hydrogen and reconnected layers have been removed The S indicating standard InChI is also removed
      static java.lang.String mainChargeAndStereochemistryLayers​(java.lang.String inchi)
      Return a modified version of the given InChI where the: fixed hydrogen and reconnected layers have been removed The S indicating standard InChI is also removed
      • Methods inherited from class java.lang.Object

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

      • InchiPruner

        public InchiPruner()
    • Method Detail

      • mainAndChargeLayers

        public static java.lang.String mainAndChargeLayers​(java.lang.String inchi)
        Return a modified version of the given InChI where the: stereochemistry, fixed hydrogen and reconnected layers have been removed The S indicating standard InChI is also removed
        Parameters:
        inchi -
        Returns:
        InChI just containing the c,h,q,p,i layers
      • mainChargeAndStereochemistryLayers

        public static java.lang.String mainChargeAndStereochemistryLayers​(java.lang.String inchi)
        Return a modified version of the given InChI where the: fixed hydrogen and reconnected layers have been removed The S indicating standard InChI is also removed
        Parameters:
        inchi -
        Returns:
        InChI just containing the c,h,q,p,b,t,m,s,i layers