Class AtomProperty.MoleculeAtomProperty

java.lang.Object
chemaxon.marvin.space.AtomProperty.MoleculeAtomProperty
All Implemented Interfaces:
chemaxon.struc.MoleculeIterators.AtomPropertyInterface
Enclosing class:
AtomProperty

public static class AtomProperty.MoleculeAtomProperty extends Object implements chemaxon.struc.MoleculeIterators.AtomPropertyInterface
  • Field Details

  • Constructor Details

    • MoleculeAtomProperty

      public MoleculeAtomProperty()
  • Method Details

    • setMolecule

      public void setMolecule(Object mol)
      Specified by:
      setMolecule in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    • getType

      public int getType(int atomIndex)
      Specified by:
      getType in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    • getLabel

      public String getLabel(int atomIndex)
      Specified by:
      getLabel in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    • getCharge

      public float getCharge(int atomIndex)
      Specified by:
      getCharge in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    • getBFactor

      public float getBFactor(int atomIndex)
      Specified by:
      getBFactor in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    • getPartialAtomCharge

      public float getPartialAtomCharge(int atomIndex) throws Exception
      Specified by:
      getPartialAtomCharge in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
      Throws:
      Exception
    • getResidueTypeId

      public int getResidueTypeId(int atomIndex)
      Specified by:
      getResidueTypeId in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    • getSecondaryStructureType

      public int getSecondaryStructureType(int atomIndex)
      Gets the type of the secondary structure element which the current atom belongs to. This method makes sense for MacroMolecule.Protein atoms only. It is declared here in order to support higher level polymorphism.
      Specified by:
      getSecondaryStructureType in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
      Returns:
      internal indetifier of SS type, see corresponding constants
    • getX

      public float getX(int atomIndex)
      Specified by:
      getX in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    • getY

      public float getY(int atomIndex)
      Specified by:
      getY in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    • getZ

      public float getZ(int atomIndex)
      Specified by:
      getZ in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface