Clipper
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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:
clipper::Vec3<>

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)
 constructor: from u,v,w
 
 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 More...
 
const ftypeus () const
 get u*
 
const ftypevs () const
 get v*
 
const ftypews () const
 get w*
 
Coord_reci_orth coord_reci_orth (const Cell &cell) const
 fractional-orthogonal reciprocal space coordinate conversion More...
 
Coord_reci_frac transform (const RTop_frac &op) const
 return transformed coordinate
 
String format () const
 return formatted String representation More...
 
- Public Member Functions inherited from clipper::Vec3<>
 Vec3 ()
 null constructor
 
 Vec3 (const T &v0, const T &v1, const T &v2)
 constructor: from individual values
 
 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<>
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)

Member Function Documentation

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

return inverse resolution squared for this reflection in given cell

Parameters
cellThe cell concerned
Returns
The inverse resolution squared.
Coord_reci_orth clipper::Coord_reci_frac::coord_reci_orth ( const Cell cell) const
inline

fractional-orthogonal reciprocal space coordinate conversion

Parameters
cellThe cell concerned
Returns
The transformed coordinate.
String clipper::Coord_reci_frac::format ( ) const

return formatted String representation

Returns
The formatted text string

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