clipper::Coord_frac Class Reference

fractional (cell) coordinates More...

#include <coords.h>

Inheritance diagram for clipper::Coord_frac:

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 ftype &	u () const
	get u
const ftype &	v () const
	get v
const ftype &	w () 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)

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Detailed Description

fractional (cell) coordinates

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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

References clipper::Metric_tensor::lengthsq(), and clipper::Cell::metric_real().

Referenced by symmetry_copy_near().

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.

References clipper::Cell::matrix_orth().

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.

References clipper::Grid::nu(), clipper::Grid::nv(), clipper::Grid::nw(), u(), v(), and w().

Referenced by clipper::Xmap< T >::interp(), clipper::Xmap< T >::interp_curv(), and clipper::Xmap< T >::interp_grad().

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.

References clipper::Util::intr(), clipper::Grid::nu(), clipper::Grid::nv(), clipper::Grid::nw(), u(), v(), and w().

String clipper::Coord_frac::format

(

)

const

return formatted String representation

Returns:

The formatted text string

Reimplemented from clipper::Vec3<>.

References u(), v(), and w().

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

• coords.h
• coords.cpp