Reindex operator H (plus optional translation, usually 0,0,0). More...
#include <hkl_datatypes.hh>
Public Member Functions | |
| ReindexOp (const Mat33< double > &Hin, const Vec3< double > &Vin=Vec3< double >(0.0, 0.0, 0.0)) | |
| constructor from matrix (and optional vector) | |
| ReindexOp (const RTop< double > &RTin) | |
| constructor from RTop | |
| ReindexOp (const ReindexOp &Rdxin) | |
| copy constructor | |
| ReindexOp (const std::string &Operator) | |
| constructor from string eg "2h+k,k,l" | |
| void | SetStrict (const bool &Strict) |
| store "strict" flag for later return | |
| bool | Strict () const |
| return stored "strict" flag | |
| void | SetDeviation (const double &Deviation) |
| store cell deviation for later return, and for sorting on minimum deviation | |
| double | Deviation () const |
| return stored deviation | |
| Mat33< double > | transpose () const |
| transpose (of rotation part) | |
| ReindexOp | inverse () const |
| inverse | |
| std::vector< double > | as_Dvec () const |
| access as vector | |
| bool | IsIdentity () const |
| returns true if identity | |
| bool | Positive () const |
| returns true if determinant is positive (desirable!) | |
| std::string | as_hkl () const |
| format as string [h,k,l] | |
| std::string | as_matrix () const |
| format as matrix | |
| std::string | as_XML () const |
| format as XML matrix | |
| std::string | as_hkl_XML () const |
| format XML operator | |
| bool | equals (const ReindexOp &b, const double &tol=1.0e-6) const |
| true if two reindex operators are equal within tolerance | |
| void | FindSimplest (const SpaceGroup &symm) |
| Apply symmetry operators to reindex operator H and choose the simplest. | |
Friends | |
| bool | operator< (const ReindexOp &a, const ReindexOp &b) |
| for sort on deviation, leaving identity at beginning | |
| bool | operator== (const ReindexOp &a, const ReindexOp &b) |
| bool | operator!= (const ReindexOp &a, const ReindexOp &b) |
| ReindexOp | operator* (const ReindexOp &a, const ReindexOp &b) |
| Vec3< double > | operator* (const Vec3< double > v, const ReindexOp &R) |
| ReindexOp | operator* (const RTop< double > &a, const ReindexOp &b) |
| ReindexOp | operator* (const ReindexOp &a, const RTop< double > &b) |
Reindex operator H (plus optional translation, usually 0,0,0).
Applies to index h such that h'T = hT H thus H matrices concatenate in order H' = H1 H2
1.6.3
