Package org.rcsb.cif.model.generated

Class SpaceGroupSymop

java.lang.Object

org.rcsb.cif.model.BaseCategory

org.rcsb.cif.model.generated.SpaceGroupSymop

All Implemented Interfaces:

Category

@Generated("org.rcsb.cif.generator.SchemaGenerator")
public class SpaceGroupSymop
extends BaseCategory

Contains information about the symmetry operations of the space group.

Field Summary

Fields inherited from class org.rcsb.cif.model.BaseCategory

isText, textFields

Constructor Summary

Constructors

Constructor	Description
SpaceGroupSymop(String name)
SpaceGroupSymop(String name, int rowCount, Object[] encodedColumns)
SpaceGroupSymop(String name, Map<String,Column> columns)

Method Summary

Modifier and Type	Method	Description
StrColumn	getId()	An arbitrary identifier that uniquely labels each symmetry operation in the list.
StrColumn	getOperationXyz()	A parsable string giving one of the symmetry operations of the space group in algebraic form.
StrColumn	getSgId()	This must match a particular value of _space_group.id, allowing the symmetry operation to be identified with a particular space group.

Methods inherited from class org.rcsb.cif.model.BaseCategory

getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.rcsb.cif.model.Category

columnNames, columns, get

Constructor Detail

SpaceGroupSymop

public SpaceGroupSymop(String name,
                       Map<String,Column> columns)

SpaceGroupSymop

public SpaceGroupSymop(String name,
                       int rowCount,
                       Object[] encodedColumns)

SpaceGroupSymop

public SpaceGroupSymop(String name)

Method Detail

getId

public StrColumn getId()

An arbitrary identifier that uniquely labels each symmetry operation in the list.

Returns:

StrColumn

getOperationXyz

public StrColumn getOperationXyz()

A parsable string giving one of the symmetry operations of the space group in algebraic form. If W is a matrix representation of the rotational part of the symmetry operation 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 the equation X' = WX + w (Note: X is used to represent bold_italics_x in International Tables for Crystallography Vol. A, Part 5) When a list of symmetry operations is given, it must contain a complete set of coordinate representatives which generates all the operations of the space group by the addition of all primitive translations of the space group. Such representatives are to be found as the coordinates of the general-equivalent position in International Tables for Crystallography Vol. A (2002), to which it is necessary to add any centring translations shown above the general-equivalent position. That is to say, it is necessary to list explicity all the symmetry operations required to generate all the atoms in the unit cell defined by the setting used.

Returns:

StrColumn

getSgId

public StrColumn getSgId()

This must match a particular value of _space_group.id, allowing the symmetry operation to be identified with a particular space group.

Returns:

StrColumn