Class ChemicalSpaceCreator


  • public class ChemicalSpaceCreator
    extends java.lang.Object
    • Constructor Detail

      • ChemicalSpaceCreator

        public ChemicalSpaceCreator​(java.util.Set<java.lang.String> bbs,
                                    java.util.List<Reaction> reactions,
                                    java.io.File outdirectory)
    • Method Detail

      • setOutdirectory

        public void setOutdirectory​(java.io.File outdirectory)
      • setBBs

        public void setBBs​(java.util.Set<java.lang.String> bbs)
      • setBBData

        public void setBBData​(java.util.Map<java.lang.String,​java.util.Map<java.lang.String,​java.util.List<java.lang.String>>> bbData)
      • setReactions

        public void setReactions​(java.util.List<Reaction> reactions)
      • create

        public void create()