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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 describe information which applies
* to all atom sites in a crystal structure.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class AtomSites extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "atom_sites";
public AtomSites(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* Codes which identify the methods used to locate the initial
* atom sites. The *_primary code identifies how the first
* atom sites were determined; the *_secondary code identifies
* how the remaining non-hydrogen sites were located; and the
* *_hydrogens code identifies how the hydrogen sites were located.
*
* Ref: Sheldrick, G. M., Hauptman, H. A., Weeks, C. M.,
* Miller, R. and Us\'on, I. (2001). Ab initio phasing.
* In International Tables for Crystallography,
* Vol. F. Crystallography of biological macromolecules,
* edited by M. G. Rossmann and E. Arnold, ch. 16.1.
* Dordrecht: Kluwer Academic Publishers.
* @return StrColumn
*/
public StrColumn getSolutionHydrogens() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_sites_solution_hydrogens"));
}
/**
* Codes which identify the methods used to locate the initial
* atom sites. The *_primary code identifies how the first
* atom sites were determined; the *_secondary code identifies
* how the remaining non-hydrogen sites were located; and the
* *_hydrogens code identifies how the hydrogen sites were located.
*
* Ref: Sheldrick, G. M., Hauptman, H. A., Weeks, C. M.,
* Miller, R. and Us\'on, I. (2001). Ab initio phasing.
* In International Tables for Crystallography,
* Vol. F. Crystallography of biological macromolecules,
* edited by M. G. Rossmann and E. Arnold, ch. 16.1.
* Dordrecht: Kluwer Academic Publishers.
* @return StrColumn
*/
public StrColumn getSolutionPrimary() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_sites_solution_primary"));
}
/**
* Codes which identify the methods used to locate the initial
* atom sites. The *_primary code identifies how the first
* atom sites were determined; the *_secondary code identifies
* how the remaining non-hydrogen sites were located; and the
* *_hydrogens code identifies how the hydrogen sites were located.
*
* Ref: Sheldrick, G. M., Hauptman, H. A., Weeks, C. M.,
* Miller, R. and Us\'on, I. (2001). Ab initio phasing.
* In International Tables for Crystallography,
* Vol. F. Crystallography of biological macromolecules,
* edited by M. G. Rossmann and E. Arnold, ch. 16.1.
* Dordrecht: Kluwer Academic Publishers.
* @return StrColumn
*/
public StrColumn getSolutionSecondary() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_sites_solution_secondary"));
}
/**
* Information about atomic coordinates not coded elsewhere in the CIF.
* @return StrColumn
*/
public StrColumn getSpecialDetails() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_sites_special_details"));
}
/**
* Description of the relative alignment of the crystal cell axes to the
* Cartesian orthogonal axes as applied in the transformation matrix
* _atom_sites_Cartn_transform.matrix.
* @return StrColumn
*/
public StrColumn getCartnTransformAxes() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transform_axes", "atom_sites_cartn_transform_axes"));
}
/**
* Description of the relative alignment of the crystal cell axes to the
* Cartesian orthogonal axes as applied in the transformation matrix
* _atom_sites_Cartn_transform.matrix.
* @return StrColumn
*/
public StrColumn getAxes() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transform_axes", "atom_sites_cartn_transform_axes"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getCartnTransfMatrix11() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][1]", "atom_sites_cartn_transform_mat_11"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getMat11() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][1]", "atom_sites_cartn_transform_mat_11"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getCartnTransfMatrix12() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][2]", "atom_sites_cartn_transform_mat_12"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getMat12() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][2]", "atom_sites_cartn_transform_mat_12"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getCartnTransfMatrix13() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][3]", "atom_sites_cartn_transform_mat_13"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getMat13() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][3]", "atom_sites_cartn_transform_mat_13"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getCartnTransfMatrix21() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][1]", "atom_sites_cartn_transform_mat_21"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getMat21() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][1]", "atom_sites_cartn_transform_mat_21"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getCartnTransfMatrix22() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][2]", "atom_sites_cartn_transform_mat_22"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getMat22() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][2]", "atom_sites_cartn_transform_mat_22"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getCartnTransfMatrix23() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][3]", "atom_sites_cartn_transform_mat_23"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getMat23() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][3]", "atom_sites_cartn_transform_mat_23"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getCartnTransfMatrix31() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][1]", "atom_sites_cartn_transform_mat_31"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getMat31() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][1]", "atom_sites_cartn_transform_mat_31"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getCartnTransfMatrix32() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][2]", "atom_sites_cartn_transform_mat_32"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getMat32() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][2]", "atom_sites_cartn_transform_mat_32"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getCartnTransfMatrix33() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][3]", "atom_sites_cartn_transform_mat_33"));
}
/**
* Matrix used to transform fractional coordinates in the ATOM_SITE category
* to Cartesian coordinates. The axial alignments of this transformation are
* described in _atom_sites_Cartn_transform.axes. The 3x1 translation is
* defined in _atom_sites_Cartn_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getMat33() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][3]", "atom_sites_cartn_transform_mat_33"));
}
/**
* The 3x1 translation that is used with _atom_sites_cartn_transform.matrix
* to transform fractional coordinates in the ATOM_SITE category to Cartesian
* coordinates. The axial alignments of this transformation are described
* in _atom_sites_Cartn_transform.axes.
* @return FloatColumn
*/
public FloatColumn getCartnTransfVector1() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[1]", "atom_sites_cartn_transform_vec_1"));
}
/**
* The 3x1 translation that is used with _atom_sites_cartn_transform.matrix
* to transform fractional coordinates in the ATOM_SITE category to Cartesian
* coordinates. The axial alignments of this transformation are described
* in _atom_sites_Cartn_transform.axes.
* @return FloatColumn
*/
public FloatColumn getVec1() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[1]", "atom_sites_cartn_transform_vec_1"));
}
/**
* The 3x1 translation that is used with _atom_sites_cartn_transform.matrix
* to transform fractional coordinates in the ATOM_SITE category to Cartesian
* coordinates. The axial alignments of this transformation are described
* in _atom_sites_Cartn_transform.axes.
* @return FloatColumn
*/
public FloatColumn getCartnTransfVector2() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[2]", "atom_sites_cartn_transform_vec_2"));
}
/**
* The 3x1 translation that is used with _atom_sites_cartn_transform.matrix
* to transform fractional coordinates in the ATOM_SITE category to Cartesian
* coordinates. The axial alignments of this transformation are described
* in _atom_sites_Cartn_transform.axes.
* @return FloatColumn
*/
public FloatColumn getVec2() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[2]", "atom_sites_cartn_transform_vec_2"));
}
/**
* The 3x1 translation that is used with _atom_sites_cartn_transform.matrix
* to transform fractional coordinates in the ATOM_SITE category to Cartesian
* coordinates. The axial alignments of this transformation are described
* in _atom_sites_Cartn_transform.axes.
* @return FloatColumn
*/
public FloatColumn getCartnTransfVector3() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[3]", "atom_sites_cartn_transform_vec_3"));
}
/**
* The 3x1 translation that is used with _atom_sites_cartn_transform.matrix
* to transform fractional coordinates in the ATOM_SITE category to Cartesian
* coordinates. The axial alignments of this transformation are described
* in _atom_sites_Cartn_transform.axes.
* @return FloatColumn
*/
public FloatColumn getVec3() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[3]", "atom_sites_cartn_transform_vec_3"));
}
/**
* Description of the relative alignment of the crystal cell axes to the
* Cartesian orthogonal axes as applied in the transformation matrix
* _atom_sites_fract_transform.matrix.
* @return StrColumn
*/
public StrColumn getFractTransformAxes() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_sites_fract_transform_axes"));
}
/**
* Matrix used to transform Cartesian coordinates in the ATOM_SITE category
* to fractional coordinates. The axial alignments of this transformation are
* described in _atom_sites_fract_transform.axes. The 3x1 translation is
* defined in _atom_sites_fract_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getFractTransfMatrix11() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_matrix[1][1]", "atom_sites_fract_transform_mat_11"));
}
/**
* Matrix used to transform Cartesian coordinates in the ATOM_SITE category
* to fractional coordinates. The axial alignments of this transformation are
* described in _atom_sites_fract_transform.axes. The 3x1 translation is
* defined in _atom_sites_fract_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getFractTransfMatrix12() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_matrix[1][2]", "atom_sites_fract_transform_mat_12"));
}
/**
* Matrix used to transform Cartesian coordinates in the ATOM_SITE category
* to fractional coordinates. The axial alignments of this transformation are
* described in _atom_sites_fract_transform.axes. The 3x1 translation is
* defined in _atom_sites_fract_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getFractTransfMatrix13() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_matrix[1][3]", "atom_sites_fract_transform_mat_13"));
}
/**
* Matrix used to transform Cartesian coordinates in the ATOM_SITE category
* to fractional coordinates. The axial alignments of this transformation are
* described in _atom_sites_fract_transform.axes. The 3x1 translation is
* defined in _atom_sites_fract_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getFractTransfMatrix21() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_matrix[2][1]", "atom_sites_fract_transform_mat_21"));
}
/**
* Matrix used to transform Cartesian coordinates in the ATOM_SITE category
* to fractional coordinates. The axial alignments of this transformation are
* described in _atom_sites_fract_transform.axes. The 3x1 translation is
* defined in _atom_sites_fract_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getFractTransfMatrix22() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_matrix[2][2]", "atom_sites_fract_transform_mat_22"));
}
/**
* Matrix used to transform Cartesian coordinates in the ATOM_SITE category
* to fractional coordinates. The axial alignments of this transformation are
* described in _atom_sites_fract_transform.axes. The 3x1 translation is
* defined in _atom_sites_fract_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getFractTransfMatrix23() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_matrix[2][3]", "atom_sites_fract_transform_mat_23"));
}
/**
* Matrix used to transform Cartesian coordinates in the ATOM_SITE category
* to fractional coordinates. The axial alignments of this transformation are
* described in _atom_sites_fract_transform.axes. The 3x1 translation is
* defined in _atom_sites_fract_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getFractTransfMatrix31() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_matrix[3][1]", "atom_sites_fract_transform_mat_31"));
}
/**
* Matrix used to transform Cartesian coordinates in the ATOM_SITE category
* to fractional coordinates. The axial alignments of this transformation are
* described in _atom_sites_fract_transform.axes. The 3x1 translation is
* defined in _atom_sites_fract_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getFractTransfMatrix32() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_matrix[3][2]", "atom_sites_fract_transform_mat_32"));
}
/**
* Matrix used to transform Cartesian coordinates in the ATOM_SITE category
* to fractional coordinates. The axial alignments of this transformation are
* described in _atom_sites_fract_transform.axes. The 3x1 translation is
* defined in _atom_sites_fract_transform.vector.
*
* x' |11 12 13| x | 1 |
* ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 |
* z' |31 32 33| z | 3 |
*
* The default transformation matrix uses Rollet's axial assignments with
* cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and
* b in plane YZ.
* @return FloatColumn
*/
public FloatColumn getFractTransfMatrix33() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_matrix[3][3]", "atom_sites_fract_transform_mat_33"));
}
/**
* The 3x1 translation that is used with _atom_sites_fract_transform.matrix
* to transform Cartesian coordinates in the ATOM_SITE category to fractional
* coordinates. The axial alignments of this transformation are described
* in _atom_sites_fract_transform.axes.
* @return FloatColumn
*/
public FloatColumn getFractTransfVector1() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_vector[1]", "atom_sites_fract_transform_vec_1"));
}
/**
* The 3x1 translation that is used with _atom_sites_fract_transform.matrix
* to transform Cartesian coordinates in the ATOM_SITE category to fractional
* coordinates. The axial alignments of this transformation are described
* in _atom_sites_fract_transform.axes.
* @return FloatColumn
*/
public FloatColumn getFractTransfVector2() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_vector[2]", "atom_sites_fract_transform_vec_2"));
}
/**
* The 3x1 translation that is used with _atom_sites_fract_transform.matrix
* to transform Cartesian coordinates in the ATOM_SITE category to fractional
* coordinates. The axial alignments of this transformation are described
* in _atom_sites_fract_transform.axes.
* @return FloatColumn
*/
public FloatColumn getFractTransfVector3() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_fract_transf_vector[3]", "atom_sites_fract_transform_vec_3"));
}
}
