org.rcsb.cif.schema.core.GeomAngle Maven / Gradle / Ivy
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 geometry angles in the
* structural model as derived from the atomic sites.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class GeomAngle extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "geom_angle";
public GeomAngle(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* The pair of distances between sites 1 - 2 and 2 - 3.
* @return FloatColumn
*/
public FloatColumn getDistances() {
return new DelegatingFloatColumn(parentBlock.getColumn("geom_angle_distances"));
}
/**
* Standard uncertainty of _geom_angle.distances.
* @return FloatColumn
*/
public FloatColumn getDistancesSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("geom_angle_distances_su"));
}
/**
* An arbitrary, unique identifier for the angle formed by the
* three atoms.
* @return StrColumn
*/
public StrColumn getId() {
return new DelegatingStrColumn(parentBlock.getColumn("geom_angle_id"));
}
/**
* Code signals if the angle is referred to in a publication or
* should be placed in a table of significant angles.
* @return StrColumn
*/
public StrColumn getPublFlag() {
return new DelegatingStrColumn(parentBlock.getColumn("geom_angle_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_angle_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_angle_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_angle_site_symmetry_3"));
}
/**
* 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.
* @return FloatColumn
*/
public FloatColumn getValue() {
return new DelegatingFloatColumn(parentBlock.getColumn("geom_angle_value"));
}
/**
* 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_angle_atom_site_id_1", "geom_angle_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_angle_atom_site_id_1", "geom_angle_atom_site_label_1"));
}
/**
* The unique identifier for the vertex atom of the angle.
* @return StrColumn
*/
public StrColumn getAtomSiteId2() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_angle_atom_site_id_2", "geom_angle_atom_site_label_2"));
}
/**
* The unique identifier for the vertex atom of the angle.
* @return StrColumn
*/
public StrColumn getAtomSiteLabel2() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_angle_atom_site_id_2", "geom_angle_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_angle_atom_site_id_3", "geom_angle_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_angle_atom_site_id_3", "geom_angle_atom_site_label_3"));
}
/**
* Standard uncertainty of the angle defined by
* the sites identified by _geom_angle.id.
* @return FloatColumn
*/
public FloatColumn getValueEsd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_angle_value_esd", "geom_angle_value_su"));
}
/**
* Standard uncertainty of the angle defined by
* the sites identified by _geom_angle.id.
* @return FloatColumn
*/
public FloatColumn getValueSu() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_angle_value_esd", "geom_angle_value_su"));
}
}