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package org.rcsb.cif.schema.core;
import org.rcsb.cif.model.*;
import org.rcsb.cif.schema.*;
import javax.annotation.Generated;
/**
* The CATEGORY of data items used to specify the torsion angles in the
* structural model as derived from the atomic sites.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class GeomTorsion extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "geom_torsion";
public GeomTorsion(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* Distances between sites 1 - 2, 2 - 3 and 3 - 4.
* @return FloatColumn
*/
public FloatColumn getDistances() {
return new DelegatingFloatColumn(parentBlock.getColumn("geom_torsion_distances"));
}
/**
* Standard uncertainty of _geom_torsion.distances.
* @return FloatColumn
*/
public FloatColumn getDistancesSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("geom_torsion_distances_su"));
}
/**
* An identifier for the torsion angle that is unique within its loop.
* @return StrColumn
*/
public StrColumn getId() {
return new DelegatingStrColumn(parentBlock.getColumn("geom_torsion_id"));
}
/**
* Code signals if the torsion angle is required for publication.
* @return StrColumn
*/
public StrColumn getPublFlag() {
return new DelegatingStrColumn(parentBlock.getColumn("geom_torsion_publ_flag"));
}
/**
* 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
* @return StrColumn
*/
public StrColumn getSiteSymmetry1() {
return new DelegatingStrColumn(parentBlock.getColumn("geom_torsion_site_symmetry_1"));
}
/**
* 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
* @return StrColumn
*/
public StrColumn getSiteSymmetry2() {
return new DelegatingStrColumn(parentBlock.getColumn("geom_torsion_site_symmetry_2"));
}
/**
* 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
* @return StrColumn
*/
public StrColumn getSiteSymmetry3() {
return new DelegatingStrColumn(parentBlock.getColumn("geom_torsion_site_symmetry_3"));
}
/**
* 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
* @return StrColumn
*/
public StrColumn getSiteSymmetry4() {
return new DelegatingStrColumn(parentBlock.getColumn("geom_torsion_site_symmetry_4"));
}
/**
* Angle defined by the sites identified by _geom_torsion.id.
* The torsion-angle definition should be that of Klyne and Prelog.
* The vector direction *_label_2 to *_label_3 is the viewing
* direction, and the torsion angle is the angle of twist required
* to superimpose the projection of the vector between site 2 and
* site 1 onto the projection of the vector between site 3 and
* site 4. Clockwise torsions are positive, anticlockwise torsions
* are negative.
* Ref: Klyne, W. & Prelog, V. (1960). Experientia, 16, 521-523.
* @return FloatColumn
*/
public FloatColumn getValue() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_torsion_value", "geom_torsion_angle"));
}
/**
* Angle defined by the sites identified by _geom_torsion.id.
* The torsion-angle definition should be that of Klyne and Prelog.
* The vector direction *_label_2 to *_label_3 is the viewing
* direction, and the torsion angle is the angle of twist required
* to superimpose the projection of the vector between site 2 and
* site 1 onto the projection of the vector between site 3 and
* site 4. Clockwise torsions are positive, anticlockwise torsions
* are negative.
* Ref: Klyne, W. & Prelog, V. (1960). Experientia, 16, 521-523.
* @return FloatColumn
*/
public FloatColumn getAngle() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_torsion_value", "geom_torsion_angle"));
}
/**
* Standard uncertainty of the torsion angle.
* @return FloatColumn
*/
public FloatColumn getValueEsd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_torsion_value_esd", "geom_torsion_angle_su"));
}
/**
* Standard uncertainty of the torsion angle.
* @return FloatColumn
*/
public FloatColumn getAngleSu() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_torsion_value_esd", "geom_torsion_angle_su"));
}
/**
* This label is a unique identifier for a particular site in the
* asymmetric unit of the crystal unit cell.
* @return StrColumn
*/
public StrColumn getAtomSiteId1() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_torsion_atom_site_id_1", "geom_torsion_atom_site_label_1"));
}
/**
* This label is a unique identifier for a particular site in the
* asymmetric unit of the crystal unit cell.
* @return StrColumn
*/
public StrColumn getAtomSiteLabel1() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_torsion_atom_site_id_1", "geom_torsion_atom_site_label_1"));
}
/**
* This label is a unique identifier for a particular site in the
* asymmetric unit of the crystal unit cell.
* @return StrColumn
*/
public StrColumn getAtomSiteId2() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_torsion_atom_site_id_2", "geom_torsion_atom_site_label_2"));
}
/**
* This label is a unique identifier for a particular site in the
* asymmetric unit of the crystal unit cell.
* @return StrColumn
*/
public StrColumn getAtomSiteLabel2() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_torsion_atom_site_id_2", "geom_torsion_atom_site_label_2"));
}
/**
* This label is a unique identifier for a particular site in the
* asymmetric unit of the crystal unit cell.
* @return StrColumn
*/
public StrColumn getAtomSiteId3() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_torsion_atom_site_id_3", "geom_torsion_atom_site_label_3"));
}
/**
* This label is a unique identifier for a particular site in the
* asymmetric unit of the crystal unit cell.
* @return StrColumn
*/
public StrColumn getAtomSiteLabel3() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_torsion_atom_site_id_3", "geom_torsion_atom_site_label_3"));
}
/**
* This label is a unique identifier for a particular site in the
* asymmetric unit of the crystal unit cell.
* @return StrColumn
*/
public StrColumn getAtomSiteId4() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_torsion_atom_site_id_4", "geom_torsion_atom_site_label_4"));
}
/**
* This label is a unique identifier for a particular site in the
* asymmetric unit of the crystal unit cell.
* @return StrColumn
*/
public StrColumn getAtomSiteLabel4() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_torsion_atom_site_id_4", "geom_torsion_atom_site_label_4"));
}
}
