Package org.rcsb.cif.schema.mm

Class ValenceParam

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.ValenceParam
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class ValenceParam
extends DelegatingCategory
Data items in the VALENCE_PARAM category define the parameters used for calculating bond valences from bond lengths. In addition to the parameters, a pointer is given to the reference (in VALENCE_REF) from which the bond-valence parameters were taken.

  • Constructor Details

  • Method Details

    • createDelegate

      protected Column createDelegate​(String columnName, Column column)
      Overrides:
      createDelegate in class DelegatingCategory

    • getAtom1

      public StrColumn getAtom1()
      The element symbol of the first atom forming the bond whose bond-valence parameters are given in this category.
      Returns:
      StrColumn

    • getAtom1Valence

      public IntColumn getAtom1Valence()
      The valence (formal charge) of the first atom whose bond-valence parameters are given in this category.
      Returns:
      IntColumn

    • getAtom2

      public StrColumn getAtom2()
      The element symbol of the second atom forming the bond whose bond-valence parameters are given in this category.
      Returns:
      StrColumn

    • getAtom2Valence

      public IntColumn getAtom2Valence()
      The valence (formal charge) of the second atom whose bond-valence parameters are given in this category.
      Returns:
      IntColumn

    • getB

      public FloatColumn getB()
      The bond-valence parameter B used in the expression s = exp[(Ro - R)/B] where s is the valence of a bond of length R.
      Returns:
      FloatColumn

    • getDetails

      public StrColumn getDetails()
      Details of or comments on the bond-valence parameters.
      Returns:
      StrColumn

    • getId

      public StrColumn getId()
      An identifier for the valence parameters of a bond between the given atoms.
      Returns:
      StrColumn

    • getRefId

      public StrColumn getRefId()
      An identifier which links to the reference to the source from which the bond-valence parameters are taken. A child of _valence_ref.id which it must match.
      Returns:
      StrColumn

    • getRo

      public FloatColumn getRo()
      The bond-valence parameter Ro used in the expression s = exp[(Ro - R)/B] where s is the valence of a bond of length R.
      Returns:
      FloatColumn