Class InteractionDistanceStatistics


  • public class InteractionDistanceStatistics
    extends java.lang.Object
    • Method Detail

      • getInteractionClasses

        public int getInteractionClasses()
      • getPairPotentials

        public java.util.Map<java.lang.Long,​SplineFunction> getPairPotentials()
      • getAtomTypes

        public java.util.List<java.lang.Integer> getAtomTypes()
      • getAtomKeySet

        public java.util.Set<java.lang.Integer> getAtomKeySet()
      • combineIntsToLong

        public long combineIntsToLong​(int a,
                                      int b)
      • getKey

        public int getKey​(int atomType)
      • addInteraction

        public void addInteraction​(int atom1,
                                   int atom2,
                                   double dist)
      • write

        public void write​(java.lang.String file)
                   throws java.io.IOException
        Throws:
        java.io.IOException
      • readFromFile

        public void readFromFile()
                          throws java.io.IOException
        Throws:
        java.io.IOException