fractional (cell) coordinates More...
#include <coords.h>
Inheritance diagram for clipper::Coord_frac:
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 | |
 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 | |
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< 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 (cell) coordinates
Member Function Documentation
◆ lengthsq()
return square of length of vector in Angstroms
- Returns
- The squared length in Angstroms squared
◆ coord_orth()
|
inline |
fractional-orthogonal coordinate conversion
- Parameters
-
cell The cell concerned
- Returns
- The transformed coordinate.
◆ coord_map()
fractional-grid coordinate conversion
- Parameters
-
g The grid concerned
- Returns
- The transformed coordinate.
◆ coord_grid()
|
inline |
fractional-grid coordinate conversion
- Parameters
-
g The 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:
- coords.h
- coords.cpp
