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package org.rcsb.cif.schema.core;
import org.rcsb.cif.model.*;
import org.rcsb.cif.schema.*;
import javax.annotation.Generated;
/**
*
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class AtomSiteAnisotrop extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "atom_site_anisotrop";
public AtomSiteAnisotrop(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* These are the standard anisotropic atomic displacement components
* in angstroms squared which appear in the structure factor term:
*
* T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
* The unique elements of the real symmetric matrix are entered by row.
*
* The IUCr Commission on Nomenclature recommends against the use
* of B for reporting atomic displacement parameters. U, being
* directly proportional to B, is preferred.
* @return FloatColumn
*/
public FloatColumn getB11() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]", "atom_site_anisotrop_B[1][1]", "atom_site_aniso_b_11"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Bij anisotropic atomic displacement components (see
* _aniso_BIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Bij calculation.
* @return FloatColumn
*/
public FloatColumn getB11Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_b_11_su"));
}
/**
* These are the standard anisotropic atomic displacement components
* in angstroms squared which appear in the structure factor term:
*
* T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
* The unique elements of the real symmetric matrix are entered by row.
*
* The IUCr Commission on Nomenclature recommends against the use
* of B for reporting atomic displacement parameters. U, being
* directly proportional to B, is preferred.
* @return FloatColumn
*/
public FloatColumn getB12() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]", "atom_site_anisotrop_B[1][2]", "atom_site_aniso_b_12"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Bij anisotropic atomic displacement components (see
* _aniso_BIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Bij calculation.
* @return FloatColumn
*/
public FloatColumn getB12Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_b_12_su"));
}
/**
* These are the standard anisotropic atomic displacement components
* in angstroms squared which appear in the structure factor term:
*
* T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
* The unique elements of the real symmetric matrix are entered by row.
*
* The IUCr Commission on Nomenclature recommends against the use
* of B for reporting atomic displacement parameters. U, being
* directly proportional to B, is preferred.
* @return FloatColumn
*/
public FloatColumn getB13() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]", "atom_site_anisotrop_B[1][3]", "atom_site_aniso_b_13"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Bij anisotropic atomic displacement components (see
* _aniso_BIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Bij calculation.
* @return FloatColumn
*/
public FloatColumn getB13Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_b_13_su"));
}
/**
* These are the standard anisotropic atomic displacement components
* in angstroms squared which appear in the structure factor term:
*
* T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
* The unique elements of the real symmetric matrix are entered by row.
*
* The IUCr Commission on Nomenclature recommends against the use
* of B for reporting atomic displacement parameters. U, being
* directly proportional to B, is preferred.
* @return FloatColumn
*/
public FloatColumn getB22() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]", "atom_site_anisotrop_B[2][2]", "atom_site_aniso_b_22"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Bij anisotropic atomic displacement components (see
* _aniso_BIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Bij calculation.
* @return FloatColumn
*/
public FloatColumn getB22Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_b_22_su"));
}
/**
* These are the standard anisotropic atomic displacement components
* in angstroms squared which appear in the structure factor term:
*
* T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
* The unique elements of the real symmetric matrix are entered by row.
*
* The IUCr Commission on Nomenclature recommends against the use
* of B for reporting atomic displacement parameters. U, being
* directly proportional to B, is preferred.
* @return FloatColumn
*/
public FloatColumn getB23() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]", "atom_site_anisotrop_B[2][3]", "atom_site_aniso_b_23"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Bij anisotropic atomic displacement components (see
* _aniso_BIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Bij calculation.
* @return FloatColumn
*/
public FloatColumn getB23Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_b_23_su"));
}
/**
* These are the standard anisotropic atomic displacement components
* in angstroms squared which appear in the structure factor term:
*
* T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
* The unique elements of the real symmetric matrix are entered by row.
*
* The IUCr Commission on Nomenclature recommends against the use
* of B for reporting atomic displacement parameters. U, being
* directly proportional to B, is preferred.
* @return FloatColumn
*/
public FloatColumn getB33() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]", "atom_site_anisotrop_B[3][3]", "atom_site_aniso_b_33"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Bij anisotropic atomic displacement components (see
* _aniso_BIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Bij calculation.
* @return FloatColumn
*/
public FloatColumn getB33Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_b_33_su"));
}
/**
* Anisotropic atomic displacement parameters are usually looped in
* a separate list. If this is the case, this code must match the
* _atom_site.label of the associated atom in the atom coordinate
* list and conform with the same rules described in _atom_site.label.
* @return StrColumn
*/
public StrColumn getId() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("atom_site_anisotrop_id", "atom_site_aniso_label"));
}
/**
* Ratio of the maximum to minimum eigenvalues of the atomic
* displacement (thermal) ellipsoids.
* @return FloatColumn
*/
public FloatColumn getRatio() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_anisotrop_ratio", "atom_site_aniso_ratio"));
}
/**
* This _atom_type.symbol code links the anisotropic atom parameters to
* the atom type data associated with this site and must match one of
* the _atom_type.symbol codes in this list.
* @return StrColumn
*/
public StrColumn getTypeSymbol() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("atom_site_anisotrop_type_symbol", "atom_site_aniso_type_symbol"));
}
/**
* These are the standard anisotropic atomic displacement
* components in angstroms squared which appear in the
* structure factor term:
*
* T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
*
* The unique elements of the real symmetric matrix are entered by row.
* @return FloatColumn
*/
public FloatColumn getU11() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]", "atom_site_anisotrop_U[1][1]", "atom_site_aniso_u_11"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Uij anisotropic atomic displacement components (see
* _aniso_UIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Uij calculation.
* @return FloatColumn
*/
public FloatColumn getU11Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_u_11_su"));
}
/**
* These are the standard anisotropic atomic displacement
* components in angstroms squared which appear in the
* structure factor term:
*
* T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
*
* The unique elements of the real symmetric matrix are entered by row.
* @return FloatColumn
*/
public FloatColumn getU12() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]", "atom_site_anisotrop_U[1][2]", "atom_site_aniso_u_12"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Uij anisotropic atomic displacement components (see
* _aniso_UIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Uij calculation.
* @return FloatColumn
*/
public FloatColumn getU12Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_u_12_su"));
}
/**
* These are the standard anisotropic atomic displacement
* components in angstroms squared which appear in the
* structure factor term:
*
* T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
*
* The unique elements of the real symmetric matrix are entered by row.
* @return FloatColumn
*/
public FloatColumn getU13() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]", "atom_site_anisotrop_U[1][3]", "atom_site_aniso_u_13"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Uij anisotropic atomic displacement components (see
* _aniso_UIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Uij calculation.
* @return FloatColumn
*/
public FloatColumn getU13Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_u_13_su"));
}
/**
* These are the standard anisotropic atomic displacement
* components in angstroms squared which appear in the
* structure factor term:
*
* T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
*
* The unique elements of the real symmetric matrix are entered by row.
* @return FloatColumn
*/
public FloatColumn getU22() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]", "atom_site_anisotrop_U[2][2]", "atom_site_aniso_u_22"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Uij anisotropic atomic displacement components (see
* _aniso_UIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Uij calculation.
* @return FloatColumn
*/
public FloatColumn getU22Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_u_22_su"));
}
/**
* These are the standard anisotropic atomic displacement
* components in angstroms squared which appear in the
* structure factor term:
*
* T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
*
* The unique elements of the real symmetric matrix are entered by row.
* @return FloatColumn
*/
public FloatColumn getU23() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]", "atom_site_anisotrop_U[2][3]", "atom_site_aniso_u_23"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Uij anisotropic atomic displacement components (see
* _aniso_UIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Uij calculation.
* @return FloatColumn
*/
public FloatColumn getU23Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_u_23_su"));
}
/**
* These are the standard anisotropic atomic displacement
* components in angstroms squared which appear in the
* structure factor term:
*
* T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
*
* h = the Miller indices
* a* = the reciprocal-space cell lengths
*
* The unique elements of the real symmetric matrix are entered by row.
* @return FloatColumn
*/
public FloatColumn getU33() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]", "atom_site_anisotrop_U[3][3]", "atom_site_aniso_u_33"));
}
/**
* These are the standard uncertainty values (SU) for the standard
* form of the Uij anisotropic atomic displacement components (see
* _aniso_UIJ). Because these values are TYPE measurand, the su values
* may in practice be auto generated as part of the Uij calculation.
* @return FloatColumn
*/
public FloatColumn getU33Esd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_u_33_su"));
}
}
