Class AtomProperty.SmoleculeAtomProperty

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

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

    • xCoords

      public float[] xCoords
    • yCoords

      public float[] yCoords
    • zCoords

      public float[] zCoords
  • Constructor Details

    • SmoleculeAtomProperty

      public SmoleculeAtomProperty()
  • Method Details

    • 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