clipper::Coord_reci_frac Class Reference

fractional reciprocal coordinate (i.e. non-integer hkl) More...

#include <coords.h>

Inheritance diagram for clipper::Coord_reci_frac:

Public Member Functions
	Coord_reci_frac ()
	null constructor
	Coord_reci_frac (const Vec3<> &v)
	constructor: copy/convert
	Coord_reci_frac (const ftype &us, const ftype &vs, const ftype &ws)
	Coord_reci_frac (const HKL &hkl)
	constructor: from HKL
HKL	hkl () const
	round to HKL
ftype	invresolsq (const Cell &cell) const
	return inverse resolution squared for this reflection in given cell
const ftype &	us () const
	get u*
const ftype &	vs () const
	get v*
const ftype &	ws () const
Coord_reci_orth	coord_reci_orth (const Cell &cell) const
	fractional-orthogonal reciprocal space coordinate conversion
Coord_reci_frac	transform (const RTop_frac &op) const
	return transformed coordinate
String	format () const
	return formatted String representation
Public Member Functions inherited from clipper::Vec3< T >
	Vec3 ()
	null constructor
	Vec3 (const T &v0, const T &v1, const T &v2)
	constructor: from individual values
template<class TT>
	Vec3 (const Vec3< TT > &v)
	constructor: copy/convert
bool	equals (const Vec3< T > &v, const T &tol) const
	test equality
const T &	operator[] (const int &i) const
	get element
T &	operator[] (const int &i)
	set element
Vec3< T >	unit () const
	return unit vector with same direction as this vector
bool	is_null () const
	test for null vector
String	format () const
	return formatted String representation
const Vec3< T > &	operator+= (const Vec3< T > &v)
	add another vector to this one
const Vec3< T > &	operator-= (const Vec3< T > &v)
	subtract another vector from this one

Additional Inherited Members
Static Public Member Functions inherited from clipper::Vec3< T >
static Vec3< T >	zero ()
	return zero vector
static Vec3< T >	null ()
	return null vector (only valid for floating point types)
static T	dot (const Vec3< T > &v1, const Vec3< T > &v2)
	Vector dot product (equivalent to *).
static Vec3< T >	cross (const Vec3< T > &v1, const Vec3< T > &v2)
	Vector cross product.

Detailed Description

fractional reciprocal coordinate (i.e. non-integer hkl)

Constructor & Destructor Documentation

Coord_reci_frac()

clipper::Coord_reci_frac::Coord_reci_frac ( const ftype & us, const ftype & vs, const ftype & ws )

inline

constructor: from u,v,w

Member Function Documentation

invresolsq()

ftype clipper::Coord_reci_frac::invresolsq ( const Cell & cell ) const

inline

return inverse resolution squared for this reflection in given cell

Parameters

cell	The cell concerned

Returns

The inverse resolution squared.

ws()

const ftype & clipper::Coord_reci_frac::ws ( ) const

inline

get w*

coord_reci_orth()

Coord_reci_orth clipper::Coord_reci_frac::coord_reci_orth ( const Cell & cell ) const

inline

fractional-orthogonal reciprocal space coordinate conversion

Parameters

cell	The cell concerned

Returns

The transformed coordinate.

format()

String clipper::Coord_reci_frac::format

(

)

const

return formatted String representation

Returns

The formatted text string

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

• coords.h
• coords.cpp