Class ChemicalComponentDictionary


  • public class ChemicalComponentDictionary
    extends java.lang.Object
    A representation of the Chemical Component Dictionary.
    Since:
    1.7
    Author:
    Andreas Prlic
    See Also:
    link into mmCIF dictionary
    • Constructor Detail

      • ChemicalComponentDictionary

        public ChemicalComponentDictionary()
    • Method Detail

      • isReplaced

        public boolean isReplaced​(ChemComp c)
      • isReplaced

        public boolean isReplaced​(java.lang.String id)
      • isReplacer

        public boolean isReplacer​(ChemComp c)
      • isReplacer

        public boolean isReplacer​(java.lang.String id)
      • getReplacer

        public ChemComp getReplacer​(ChemComp c)
        if ChemComp is replaced by another one, get the newer version otherwise return the same ChemComp again.
        Parameters:
        c -
        Returns:
        get the component that replaced ChemComp.
      • getReplacer

        public ChemComp getReplacer​(java.lang.String id)
      • getReplaced

        public ChemComp getReplaced​(ChemComp c)
        if ChemComp is replacing another one, get the old version otherwise return the same ChemComp again.
        Parameters:
        c - the ChemComp for which older versions should be looked up.
      • getReplaced

        public ChemComp getReplaced​(java.lang.String id)
      • getParent

        public ChemComp getParent​(ChemComp c)
        Get the parent of a component. If component has no parent, return null
        Parameters:
        c -
        Returns:
        get the parent component or null if ChemComp has no parent.
      • addChemComp

        public void addChemComp​(ChemComp comp)
        add a new component to the dictionary
        Parameters:
        comp -
      • size

        public int size()
        Returns the number of ChemComps in this dictionary
        Returns:
        nr. of ChemComps
      • getChemComp

        public ChemComp getChemComp​(java.lang.String id)