org.rcsb.cif.schema.core.SpaceGroupGenerator 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 list generators for
* the space group
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class SpaceGroupGenerator extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "space_group_generator";
public SpaceGroupGenerator(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* Arbitrary identifier for each entry in the _space_group_generator.xyz
* list.
* @return StrColumn
*/
public StrColumn getKey() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_generator_key"));
}
/**
* A parsable string giving one of the symmetry generators of the
* space group in algebraic form. If W is a matrix representation
* of the rotational part of the generator defined by the positions
* and signs of x, y and z, and w is a column of translations
* defined by the fractions, an equivalent position X' is
* generated from a given position X by
*
* X' = WX + w.
*
* (Note: X is used to represent the bold italic x in International
* Tables for Crystallography Volume A, Section 5.)
*
* When a list of symmetry generators is given, it is assumed
* that the complete list of symmetry operations of the space
* group (including the identity operation) can be generated
* through repeated multiplication of the generators, that is,
* (W3, w3) is an operation of the space group if (W2,w2) and
* (W1,w1) [where (W1,w1) is applied first] are either operations
* or generators and:
*
* W3 = W2 x W1
* w3 = W2 x w1 + w2.
*
* Ref: International Tables for Crystallography (2002). Volume A,
* Space-group symmetry, edited by Th. Hahn, 5th ed.
* Dordrecht: Kluwer Academic Publishers.
* @return StrColumn
*/
public StrColumn getXyz() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_generator_xyz"));
}
}