Clipper
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Integerised symmetry matrix. More...
#include <symop.h>
Public Member Functions | |
Isymop () | |
null constructor | |
Isymop (const RTop< int > &rt) | |
constructor: RTop | |
Isymop (const Symop &symop, const Grid &grid) | |
constructor More... | |
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RTop () | |
null constructor | |
RTop (const Mat33< int > &r) | |
constructor: from rotation | |
RTop (const Mat33< int > &r, const Vec3< int > &t) | |
constructor: from rotation and translation | |
RTop< int > | inverse () const |
inverse | |
bool | equals (const RTop< int > &m, const int &tol) const |
test equality with some tolerance | |
const Mat33< int > & | rot () const |
get rotation | |
Mat33< int > & | rot () |
set rotation | |
const Vec3< int > & | trn () const |
get translation | |
Vec3< int > & | trn () |
set translation | |
bool | is_null () const |
test for null operator | |
String | format () const |
return formatted String representation | |
Additional Inherited Members | |
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static RTop< int > | identity () |
return identity operator | |
static RTop< int > | null () |
return identity operator | |
Integerised symmetry matrix.
This is used for optimised calculations in real and reciprocal space
constructor
Integerised symops are more efficient when handling integer coordinate types, e.g. HKL, Coord_grid. The rotation parts of the integerised symop are general and can be used for any recirpocal space data. The translation part is specific to an individual grid.
symop | The conventional symop. |
grid | The specific grid. |