Class HoseCodeCreator


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

      Constructors 
      Constructor Description
      HoseCodeCreator()  
    • Method Summary

      All Methods Static Methods Concrete Methods 
      Modifier and Type Method Description
      static java.lang.String[][] getHoseCodes​(StereoMolecule mol, int maxSphereSize, int type)
      This descriptor requires proper up/down bonds, because it encodes stereo parities.
      static java.lang.String[] getHoseCodesFromDiaID​(java.lang.String diastereotopicID, int maxSphereSize, int type)  
      static void main​(java.lang.String[] args)  
      • Methods inherited from class java.lang.Object

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

      • HoseCodeCreator

        public HoseCodeCreator()
    • Method Detail

      • getHoseCodes

        public static java.lang.String[][] getHoseCodes​(StereoMolecule mol,
                                                        int maxSphereSize,
                                                        int type)
        This descriptor requires proper up/down bonds, because it encodes stereo parities. If a passed molecule is generated from idcode parsing, make sure that coordinates and up/down/bonds are available, i.e. that the IDCodeParser was instantiated with the respective option.
      • getHoseCodesFromDiaID

        public static java.lang.String[] getHoseCodesFromDiaID​(java.lang.String diastereotopicID,
                                                               int maxSphereSize,
                                                               int type)
      • main

        public static void main​(java.lang.String[] args)