clipper::Coord_frac Class Reference

fractional (cell) coordinates More...

#include <coords.h>

Inheritance diagram for clipper::Coord_frac:

clipper::Vec3<>

List of all members.

Public Member Functions

 Coord_frac ()
 null constructor
 Coord_frac (const Vec3<> &v)
 constructor: copy/convert
 Coord_frac (const ftype &u, const ftype &v, const ftype &w)
 constructor: from u,v,w
const ftypeu () const
 get u
const ftypev () const
 get v
const ftypew () const
 get w
ftype lengthsq (const Cell &cell) const
 return square of length of vector in Angstroms
Coord_orth coord_orth (const Cell &cell) const
 fractional-orthogonal coordinate conversion
Coord_map coord_map (const Grid &g) const
 fractional-grid coordinate conversion
Coord_grid coord_grid (const Grid &g) const
 fractional-grid coordinate conversion
Coord_frac transform (const RTop_frac &op) const
 return transformed coordinate
Coord_frac lattice_copy_zero () const
 return lattice copy nearest origin
Coord_frac lattice_copy_unit () const
 return lattice copy in unit box (0...1,0...1,0...1)
Coord_frac lattice_copy_near (const Coord_frac &n) const
 return lattice copy near the specified coordinate
Coord_frac symmetry_copy_near (const Spacegroup &spgr, const Cell &cell, const Coord_frac &n) const
 return symmetry copy near the specified coordinate
String format () const
 return formatted String representation

Friends

Coord_frac operator- (const Coord_frac &u1)
Coord_frac operator+ (const Coord_frac &u1, const Coord_frac &u2)
Coord_frac operator- (const Coord_frac &u1, const Coord_frac &u2)
Coord_frac operator* (const ftype &s, const Coord_frac &u1)
Coord_frac operator* (const RTop_frac &op, const Coord_frac &x1)


Detailed Description

fractional (cell) coordinates

Member Function Documentation

ftype clipper::Coord_frac::lengthsq ( const Cell cell  )  const [inline]

return square of length of vector in Angstroms

Returns:
The squared length in Angstroms squared

Coord_orth clipper::Coord_frac::coord_orth ( const Cell cell  )  const [inline]

fractional-orthogonal coordinate conversion

Parameters:
cell The cell concerned
Returns:
The transformed coordinate.

Coord_map clipper::Coord_frac::coord_map ( const Grid g  )  const [inline]

fractional-grid coordinate conversion

Parameters:
g The grid concerned
Returns:
The transformed coordinate.

Coord_grid clipper::Coord_frac::coord_grid ( const Grid g  )  const [inline]

fractional-grid coordinate conversion

Parameters:
g The grid concerned
Returns:
The transformed coordinate.

String clipper::Coord_frac::format (  )  const

return formatted String representation

Returns:
The formatted text string

Reimplemented from clipper::Vec3<>.


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

Generated on Fri Jun 12 18:03:40 2009 for Clipper by  doxygen 1.5.9