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clipper::U_aniso_frac Class Reference

Anisotropic fractional atomic displacement parameters. More...

#include <coords.h>

Inheritance diagram for clipper::U_aniso_frac:

List of all members.

Public Member Functions

 U_aniso_frac ()
 null constructor
 U_aniso_frac (const Mat33sym<> &m)
 constructor: from Mat33sym
 U_aniso_frac (const ftype &u11, const ftype &u22, const ftype &u33, const ftype &u12, const ftype &u13, const ftype &u23)
 constructor: from Uij
U_aniso_orth u_aniso_orth (const Cell &cell) const
 fractional-orthogonal conversion
U_aniso_frac transform (const RTop_frac &op) const
 return transformed U_aniso


U_aniso_frac operator+ (const U_aniso_frac &u1, const U_aniso_frac &u2)
U_aniso_frac operator- (const U_aniso_frac &u)
U_aniso_frac operator* (const ftype &s, const U_aniso_frac &u)

Detailed Description

Anisotropic fractional atomic displacement parameters.

These are defined on fractional atomic coordinates in A-2, i.e. they are anisotropic U values.

Member Function Documentation

U_aniso_orth clipper::U_aniso_frac::u_aniso_orth ( const Cell cell) const

fractional-orthogonal conversion

cellThe cell concerned
The transformed coordinate.

References clipper::Cell::matrix_orth(), and clipper::Mat33< T >::transpose().

U_aniso_frac clipper::U_aniso_frac::transform ( const RTop_frac op) const

return transformed U_aniso

The aniso U is transformed by the given RT op.

uThe aniso U.

References clipper::Mat33< T >::inverse(), clipper::RTop< T >::rot(), clipper::Mat33< T >::transpose(), and U_aniso_frac().

The documentation for this class was generated from the following files: