Clipper
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clipper::Coord_frac Class Reference

fractional (cell) coordinates More...

#include <coords.h>

Inheritance diagram for clipper::Coord_frac:
clipper::Vec3<>

Public Member Functions

ftype lengthsq (const Cell &cell) const
 return square of length of vector in Angstroms More...
 
Coord_orth coord_orth (const Cell &cell) const
 fractional-orthogonal coordinate conversion More...
 
Coord_map coord_map (const Grid &g) const
 fractional-grid coordinate conversion More...
 
Coord_grid coord_grid (const Grid &g) const
 fractional-grid coordinate conversion More...
 
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 More...
 
- Public Member Functions inherited from clipper::Vec3<>
 Vec3 ()
 null constructor
 
 Vec3 (const ftype &v0, const ftype &v1, const ftype &v2)
 constructor: from individual values
 
 Vec3 (const Vec3< TT > &v)
 constructor: copy/convert
 
bool equals (const Vec3< ftype > &v, const ftype &tol) const
 test equality
 
const ftypeoperator[] (const int &i) const
 get element
 
ftypeoperator[] (const int &i)
 set element
 
Vec3< ftypeunit () 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< ftype > & operator+= (const Vec3< ftype > &v)
 add another vector to this one
 
const Vec3< ftype > & operator-= (const Vec3< ftype > &v)
 subtract another vector from this one
 

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)
 

Additional Inherited Members

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

Detailed Description

fractional (cell) coordinates

Member Function Documentation

◆ lengthsq()

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()

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

fractional-orthogonal coordinate conversion

Parameters
cellThe cell concerned
Returns
The transformed coordinate.

◆ coord_map()

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

fractional-grid coordinate conversion

Parameters
gThe grid concerned
Returns
The transformed coordinate.

◆ coord_grid()

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

fractional-grid coordinate conversion

Parameters
gThe grid concerned
Returns
The transformed coordinate.

◆ format()

String clipper::Coord_frac::format ( ) const

return formatted String representation

Returns
The formatted text string

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