Package org.rcsb.cif.schema.core

Class GeomAngle

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.GeomAngle
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class GeomAngle
extends DelegatingCategory.DelegatingCifCoreCategory
The CATEGORY of data items used to specify the geometry angles in the structural model as derived from the atomic sites.

  • Constructor Details

  • Method Details

    • getDistances

      public FloatColumn getDistances()
      The pair of distances between sites 1 - 2 and 2 - 3.
      Returns:
      FloatColumn

    • getId

      public StrColumn getId()
      An arbitrary, unique identifier for the angle formed by the three atoms.
      Returns:
      StrColumn

    • getPublFlag

      public StrColumn getPublFlag()
      Code signals if the angle is referred to in a publication or should be placed in a table of significant angles.
      Returns:
      StrColumn

    • getSiteSymmetry1

      public StrColumn getSiteSymmetry1()
      The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z
      Returns:
      StrColumn

    • getSiteSymmetry2

      public StrColumn getSiteSymmetry2()
      The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z
      Returns:
      StrColumn

    • getSiteSymmetry3

      public StrColumn getSiteSymmetry3()
      The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z
      Returns:
      StrColumn

    • getValue

      public FloatColumn getValue()
      Angle defined by the atoms located at atom_site_x/site_symmetry_x for x = 1,2,3. The vertex atom is at site x = 2.
      Returns:
      FloatColumn

    • getAtomSiteId1

      public StrColumn getAtomSiteId1()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteLabel1

      public StrColumn getAtomSiteLabel1()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteId2

      public StrColumn getAtomSiteId2()
      The unique identifier for the vertex atom of the angle.
      Returns:
      StrColumn

    • getAtomSiteLabel2

      public StrColumn getAtomSiteLabel2()
      The unique identifier for the vertex atom of the angle.
      Returns:
      StrColumn

    • getAtomSiteId3

      public StrColumn getAtomSiteId3()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteLabel3

      public StrColumn getAtomSiteLabel3()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getValueEsd

      public FloatColumn getValueEsd()
      Standard Uncertainty of the angle defined by the sites identified by _geom_angle.id
      Returns:
      FloatColumn

    • getValueSu

      public FloatColumn getValueSu()
      Standard Uncertainty of the angle defined by the sites identified by _geom_angle.id
      Returns:
      FloatColumn