reflection 'Miller' index More...
#include <coords.h>
Inheritance diagram for clipper::HKL:
Public Member Functions | |
| HKL () | |
| null constructor | |
| HKL (const Vec3< int > &v) | |
| constructor: copy/convert | |
| HKL (const int &h, const int &k, const int &l) | |
| constructor: from H,K,L | |
| const int & | h () const |
| get h | |
| const int & | k () const |
| get k | |
| const int & | l () const |
| get l | |
| int & | h () |
| set h | |
| int & | k () |
| set k | |
| int & | l () |
| set l | |
| ftype | invresolsq (const Cell &cell) const |
| return inverse resolution squared for this reflection in given cell | |
| Coord_reci_frac | coord_reci_frac () const |
| return fractional reciprocal coordinate (i.e. non-integer HKL) | |
| Coord_reci_orth | coord_reci_orth (const Cell &cell) const |
| orthogonal-fractional reciprocal space coordinate conversion | |
| HKL | transform (const Symop &op) const |
| return transformed hkl | |
| HKL | transform (const Isymop &op) const |
| return transformed hkl | |
| ftype | sym_phase_shift (const Symop &op) const |
| return symmetry phase shift for this HKL under op | |
| String | format () const |
| return formatted String representation | |
 Public Member Functions inherited from clipper::Vec3< int > | |
| Vec3 () | |
| null constructor | |
| Vec3 (const int &v0, const int &v1, const int &v2) | |
| constructor: from individual values | |
| Vec3 (const Vec3< TT > &v) | |
| constructor: copy/convert | |
| bool | equals (const Vec3< int > &v, const int &tol) const |
| test equality | |
| const int & | operator[] (const int &i) const |
| get element | |
| int & | operator[] (const int &i) |
| set element | |
| Vec3< int > | 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< int > & | operator+= (const Vec3< int > &v) |
| add another vector to this one | |
| const Vec3< int > & | operator-= (const Vec3< int > &v) |
| subtract another vector from this one | |
Friends | |
| HKL | operator- (const HKL &h1) |
| HKL | operator+ (const HKL &h1, const HKL &h2) |
| HKL | operator- (const HKL &h1, const HKL &h2) |
| HKL | operator* (const int &s, const HKL &h1) |
| HKL | operator* (const Isymop &op, const HKL &h1) |
Additional Inherited Members | |
| Static Public Member Functions inherited from clipper::Vec3< int > | |
| static Vec3< int > | zero () |
| return zero vector | |
| static Vec3< int > | null () |
| return null vector (only valid for floating point types) | |
| static int | dot (const Vec3< int > &v1, const Vec3< int > &v2) |
| Vector dot product (equivalent to *) | |
| static Vec3< int > | cross (const Vec3< int > &v1, const Vec3< int > &v2) |
| Vector cross product. | |
Detailed Description
reflection 'Miller' index
Member Function Documentation
◆ invresolsq()
return inverse resolution squared for this reflection in given cell
- Note
- Normally you would get a value through clipper::HKL_info, unless you specifically want a value for a different cell.
◆ coord_reci_frac()
|
inline |
return fractional reciprocal coordinate (i.e. non-integer HKL)
- Returns
- The non-integer coordinate.
◆ coord_reci_orth()
|
inline |
orthogonal-fractional reciprocal space coordinate conversion
- Parameters
-
cell The cell concerned
- Returns
- The transformed coordinate.
◆ transform() [1/2]
return transformed hkl
Requires integer->ftype->integer transformation.
- Parameters
-
op The symmetry operator
- Returns
- The transformed coordinate
◆ transform() [2/2]
return transformed hkl
Optimal version.
- Parameters
-
op The symmetry operator
- Returns
- The transformed coordinate
◆ sym_phase_shift()
◆ format()
| String clipper::HKL::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
