Class Biotransformation


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

      • Biotransformation

        public Biotransformation​(org.openscience.cdk.interfaces.IAtomContainerSet substrates,
                                 MRPatterns.ReactionName reactionType,
                                 java.util.ArrayList<Enzyme.EnzymeName> enzymeNames,
                                 org.openscience.cdk.interfaces.IAtomContainerSet products,
                                 java.lang.Double score,
                                 BioSystem.BioSystemName bsysName)
      • Biotransformation

        public Biotransformation​(org.openscience.cdk.interfaces.IAtomContainerSet substrates,
                                 MRPatterns.ReactionName reactionType,
                                 Enzyme.EnzymeName enzymeName,
                                 org.openscience.cdk.interfaces.IAtomContainerSet products)
    • Method Detail

      • getSubstrates

        public org.openscience.cdk.AtomContainerSet getSubstrates()
      • getProducts

        public org.openscience.cdk.AtomContainerSet getProducts()
      • getScore

        public java.lang.Double getScore()
      • setEnzymeNames

        public void setEnzymeNames​(java.util.ArrayList<Enzyme.EnzymeName> elsit)
      • display

        public void display()