Class AtomData


  • public class AtomData
    extends java.lang.Object
    • Field Detail

      • MODE_GET_ATTACHED_HYDROGENS

        public static final int MODE_GET_ATTACHED_HYDROGENS
        See Also:
        Constant Field Values
      • programInfo

        public java.lang.String programInfo
      • fileName

        public java.lang.String fileName
      • modelName

        public java.lang.String modelName
      • modelIndex

        public int modelIndex
      • bsSelected

        public BS bsSelected
      • bsIgnored

        public BS bsIgnored
      • bsMolecules

        public BS[] bsMolecules
      • firstAtomIndex

        public int firstAtomIndex
      • firstModelIndex

        public int firstModelIndex
      • lastModelIndex

        public int lastModelIndex
      • hAtomRadius

        public float hAtomRadius
      • atomIndex

        public int[] atomIndex
      • atoms

        public Atom[] atoms
      • xyz

        public javajs.util.P3[] xyz
      • atomRadius

        public float[] atomRadius
      • atomicNumber

        public int[] atomicNumber
      • atomMolecule

        public int[] atomMolecule
      • hAtoms

        public javajs.util.P3[][] hAtoms
      • ac

        public int ac
      • hydrogenAtomCount

        public int hydrogenAtomCount
      • adpMode

        public int adpMode
    • Constructor Detail

      • AtomData

        public AtomData()
    • Method Detail

      • transformXYZ

        public void transformXYZ​(javajs.util.M4 mat,
                                 BS bs)
        allow for transformed XYZ
        Parameters:
        mat -
        bs -