Class AtomData

java.lang.Object
org.jmol.atomdata.AtomData

public class AtomData extends Object
  • Field Details

    • MODE_FILL_MODEL

      public static final int MODE_FILL_MODEL
      See Also:
    • MODE_FILL_COORDS

      public static final int MODE_FILL_COORDS
      See Also:
    • MODE_FILL_RADII

      public static final int MODE_FILL_RADII
      See Also:
    • MODE_FILL_MOLECULES

      public static final int MODE_FILL_MOLECULES
      See Also:
    • MODE_GET_ATTACHED_HYDROGENS

      public static final int MODE_GET_ATTACHED_HYDROGENS
      See Also:
    • MODE_FILL_MULTIMODEL

      public static final int MODE_FILL_MULTIMODEL
      See Also:
    • programInfo

      public String programInfo
    • fileName

      public String fileName
    • modelName

      public String modelName
    • modelIndex

      public int modelIndex
    • bsSelected

      public BS bsSelected
    • bsIgnored

      public BS bsIgnored
    • bsMolecules

      public BS[] bsMolecules
    • radiusData

      public RadiusData radiusData
    • 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 P3[] xyz
    • atomRadius

      public float[] atomRadius
    • atomicNumber

      public int[] atomicNumber
    • atomMolecule

      public int[] atomMolecule
    • hAtoms

      public P3[][] hAtoms
    • ac

      public int ac
    • hydrogenAtomCount

      public int hydrogenAtomCount
    • adpMode

      public int adpMode
  • Constructor Details

    • AtomData

      public AtomData()
  • Method Details

    • transformXYZ

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