diff options
Diffstat (limited to 'libcrystfel/src/cell-utils.h')
| -rw-r--r-- | libcrystfel/src/cell-utils.h | 35 |
1 files changed, 16 insertions, 19 deletions
diff --git a/libcrystfel/src/cell-utils.h b/libcrystfel/src/cell-utils.h index be878c10..5b705247 100644 --- a/libcrystfel/src/cell-utils.h +++ b/libcrystfel/src/cell-utils.h @@ -59,11 +59,6 @@ extern UnitCell *rotate_cell(UnitCell *in, double omega, double phi, extern void cell_print(UnitCell *cell); extern void cell_print_full(UnitCell *cell); -extern UnitCell *match_cell(UnitCell *cell, UnitCell *tempcell, int verbose, - const float *ltl, int reduce); - -extern UnitCell *match_cell_ab(UnitCell *cell, UnitCell *tempcell); - extern UnitCell *load_cell_from_pdb(const char *filename); extern UnitCell *load_cell_from_file(const char *filename); extern void write_cell(UnitCell *cell, FILE *fh); @@ -87,24 +82,26 @@ extern int forbidden_reflection(UnitCell *cell, extern double cell_get_volume(UnitCell *cell); -extern int compare_cell_parameters(UnitCell *cell1, UnitCell *cell2, - float ltl, float atl); +extern int compare_cell_parameters(UnitCell *cell, UnitCell *reference, + const double *tols); +extern int compare_cell_parameters_and_orientation(UnitCell *cell, + UnitCell *reference, + const double *tols); -extern int compare_cell_parameters_and_orientation(UnitCell *cell1, - UnitCell *cell2, - const double ltl, - const double atl); +extern int compare_permuted_cell_parameters_and_orientation(UnitCell *cell, + UnitCell *reference, + const double *tols, + IntegerMatrix **pmb); -extern int compare_reindexed_cell_parameters_and_orientation(UnitCell *a, - UnitCell *b, - double ltl, - double atl, - IntegerMatrix **pmb); +extern int compare_derivative_cell_parameters(UnitCell *cell, UnitCell *reference, + const double *tols, int csl, + RationalMatrix **pmb); -extern int compare_reindexed_cell_parameters(UnitCell *cell, UnitCell *reference, - double ltl, double atl, int csl, - RationalMatrix **pmb); +extern UnitCell *compare_reindexed_cell_parameters(UnitCell *cell_in, + UnitCell *reference_in, + const double *tols, + RationalMatrix **pmb); #ifdef __cplusplus } |