Class AtomProperty.SmoleculeAtomProperty

  • All Implemented Interfaces:
    chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    Enclosing class:
    AtomProperty

    public class AtomProperty.SmoleculeAtomProperty
    extends Object
    implements chemaxon.struc.MoleculeIterators.AtomPropertyInterface
    • Field Detail

      • xCoords

        public float[] xCoords
      • yCoords

        public float[] yCoords
      • zCoords

        public float[] zCoords
    • Constructor Detail

      • SmoleculeAtomProperty

        public SmoleculeAtomProperty()
    • Method Detail

      • setMolecule

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

        public void setCoordinates​(Object coord,
                                   int i)
      • 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)
        Specified by:
        getSecondaryStructureType in interface chemaxon.struc.MoleculeIterators.AtomPropertyInterface
      • 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