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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 space group
* information about the crystal used in the diffraction measurements.
*
* Space-group types are identified by their number as listed in
* International Tables for Crystallography Volume A, or by their
* Schoenflies symbol. Specific settings of the space groups can
* be identified by their Hall symbol, by specifying their
* symmetry operations or generators, or by giving the
* transformation that relates the specific setting to the
* reference setting based on International Tables Volume A and
* stored in this dictionary.
*
* The commonly used Hermann-Mauguin symbol determines the
* space-group type uniquely but several different Hermann-Mauguin
* symbols may refer to the same space-group type. A
* Hermann-Mauguin symbol contains information on the choice of
* the basis, but not on the choice of origin.
*
* Ref: International Tables for Crystallography (2002). Volume A,
* Space-group symmetry, edited by Th. Hahn, 5th ed.
* Dordrecht: Kluwer Academic Publishers.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class SpaceGroup extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "space_group";
public SpaceGroup(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* The symbol denoting the lattice type (Bravais type) to which the
* translational subgroup (vector lattice) of the space group
* belongs. It consists of a lower-case letter indicating the
* crystal system followed by an upper-case letter indicating
* the lattice centring. The setting-independent symbol mS
* replaces the setting-dependent symbols mB and mC, and the
* setting-independent symbol oS replaces the setting-dependent
* symbols oA, oB and oC.
*
* Ref: International Tables for Crystallography (2002). Volume A,
* Space-group symmetry, edited by Th. Hahn, 5th ed., p. 15.
* Dordrecht: Kluwer Academic Publishers.
* @return StrColumn
*/
public StrColumn getBravaisType() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_bravais_type"));
}
/**
* Symbol for the lattice centring. This symbol may be dependent
* on the coordinate system chosen.
* @return StrColumn
*/
public StrColumn getCentringType() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_centring_type"));
}
/**
* The name of the system of geometric crystal classes of space
* groups (crystal system) to which the space group belongs.
* Note that rhombohedral space groups belong to the
* trigonal system.
* @return StrColumn
*/
public StrColumn getCrystalSystem() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_crystal_system"));
}
/**
* A qualifier taken from the enumeration list identifying which
* setting in International Tables for Crystallography Volume A
* (2002) (IT) is used. See IT Table 4.3.2.1, Section 2.2.16,
* Table 2.2.16.1, Section 2.2.16.1 and Fig. 2.2.6.4. This item
* is not computer-interpretable and cannot be used to define the
* coordinate system.
*
* 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 getItCoordinateSystemCode() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_it_coordinate_system_code"));
}
/**
* The Hermann-Mauguin symbol of the geometric crystal class of the
* point group of the space group where a centre of inversion is
* added if not already present.
* @return StrColumn
*/
public StrColumn getLaueClass() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_laue_class"));
}
/**
* Number of unique symmetry elements in the space group.
* @return IntColumn
*/
public IntColumn getMultiplicity() {
return new DelegatingIntColumn(parentBlock.getColumn("space_group_multiplicity"));
}
/**
* _space_group.name_H-M_alt allows for any Hermann-Mauguin symbol
* to be given. The way in which this item is used is determined
* by the user and in general is not intended to be interpreted by
* computer. It may, for example, be used to give one of the
* extended Hermann-Mauguin symbols given in Table 4.3.1 of
* International Tables for Crystallography Vol. A (1995) or
* a Hermann-Mauguin symbol for a conventional or unconventional
* setting.
* Each component of the space group name is separated by a
* space or underscore. The use of space is strongly
* recommended. The underscore is only retained because it
* was used in earlier archived files. It should not be
* used in new CIFs. Subscripts should appear without special
* symbols. Bars should be given as negative signs before the
* numbers to which they apply.
* The commonly used Hermann-Mauguin symbol determines the space
* group type uniquely but a given space group type may be
* described by more than one Hermann-Mauguin symbol. The space
* group type is best described using _space_group.IT_number.
* The Hermann-Mauguin symbol may contain information on the
* choice of basis though not on the choice of origin. To
* define the setting uniquely use _space_group.name_Hall or
* list the symmetry operations.
* @return StrColumn
*/
public StrColumn getNameH_mAlt() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_h-m_alt"));
}
/**
* A free-text description of the code appearing in
* _space_group.name_H-M_alt.
* @return StrColumn
*/
public StrColumn getNameH_mAltDescription() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_h-m_alt_description"));
}
/**
* The short international Hermann-Mauguin space-group symbol as
* defined in Section 2.2.3 and given as the first item of each
* space-group table in Part 7 of International Tables
* for Crystallography Volume A (2002).
*
* Each component of the space-group name is separated by a
* space character. Subscripts appear without special symbols.
* Bars are given as negative signs before the numbers to which
* they apply.
*
* The short international Hermann-Mauguin symbol determines
* the space-group type uniquely. However, the space-group
* type is better described using _space_group.IT_number or
* _space_group.name_Schoenflies. The short international
* Hermann-Mauguin symbol contains no information on the
* choice of basis or origin. To define the setting uniquely
* use _space_group.name_Hall, or list the symmetry operations
* or generators.
*
* _space_group.name_H-M_alt may be used to give the
* Hermann-Mauguin symbol corresponding to the setting used.
*
* In the enumeration list, each possible value is identified by
* space-group number and Schoenflies symbol.
*
* 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 getNameH_mRef() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_h-m_ref"));
}
/**
* The Schoenflies symbol as listed in International Tables for
* Crystallography Volume A denoting the proper affine class (i.e.
* orientation-preserving affine class) of space groups
* (space-group type) to which the space group belongs. This
* symbol defines the space-group type independently of the
* coordinate system in which the space group is expressed.
*
* The symbol is given with a period, '.', separating the
* Schoenflies point group and the superscript.
*
* 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 getNameSchoenflies() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_schoenflies"));
}
/**
* The Hermann-Mauguin symbol of the type of that centrosymmetric
* symmorphic space group to which the Patterson function belongs;
* see Table 2.2.5.1 in International Tables for Crystallography
* Volume A (2002).
*
* A space separates each symbol referring to different axes.
* Underscores may replace the spaces, but this use is discouraged.
* Subscripts should appear without special symbols.
* Bars should be given as negative signs before the number
* to which they apply.
*
* Ref: International Tables for Crystallography (2002). Volume A,
* Space-group symmetry, edited by Th. Hahn, 5th ed.,
* Table 2.2.5.1. Dordrecht: Kluwer Academic Publishers.
* @return StrColumn
*/
public StrColumn getPattersonNameH_m() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_patterson_name_h-m"));
}
/**
* The Hermann-Mauguin symbol denoting the geometric crystal
* class of space groups to which the space group belongs, and
* the geometric crystal class of point groups to which the
* point group of the space group belongs.
* @return StrColumn
*/
public StrColumn getPointGroupH_m() {
return new DelegatingStrColumn(parentBlock.getColumn("space_group_point_group_h-m"));
}
/**
* The number as assigned in International Tables for Crystallography
* Vol. A, specifying the proper affine class (i.e. the orientation
* preserving affine class) of space groups (crystallographic space
* group type) to which the space group belongs. This number defines
* the space group type but not the coordinate system expressed.
* @return IntColumn
*/
public IntColumn getItNumber() {
return new DelegatingIntColumn(parentBlock.getAliasedColumn("symmetry_Int_Tables_number", "space_group_it_number"));
}
/**
* The full international Hermann-Mauguin space-group symbol as
* defined in Section 2.2.3 and given as the second item of the
* second line of each of the space-group tables of Part 7 of
* International Tables for Crystallography Volume A (2002).
*
* Each component of the space-group name is separated by a
* space or an underscore character. The use of a space is
* strongly recommended. The underscore is only retained
* because it was used in old CIFs. It should not be used in
* new CIFs.
*
* Subscripts should appear without special symbols. Bars should
* be given as negative signs before the numbers to which they
* apply. The commonly used Hermann-Mauguin symbol determines the
* space-group type uniquely but a given space-group type may
* be described by more than one Hermann-Mauguin symbol. The
* space-group type is best described using
* _space_group.IT_number or _space_group.name_Schoenflies. The
* full international Hermann-Mauguin symbol contains information
* about the choice of basis for monoclinic and orthorhombic
* space groups but does not give information about the choice
* of origin. To define the setting uniquely use
* _space_group.name_Hall, or list the symmetry operations
* or generators.
*
* 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 getNameH_mFull() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_H-M", "space_group_name_h-m_full"));
}
/**
* Space group symbol defined by Hall. Each component of the
* space group name is separated by a space or an underscore.
* The use of space is strongly recommended because it specifies
* the coordinate system. The underscore in the name is only
* retained because it was used in earlier archived files. It
* should not be used in new CIFs.
* Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525
* [See also International Tables for Crystallography,
* Vol. B (1993) 1.4 Appendix B]
* @return StrColumn
*/
public StrColumn getNameHall() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_Hall", "space_group_name_hall"));
}
}
