diff options
Diffstat (limited to 'libcrystfel/src/cell-utils.h')
| -rw-r--r-- | libcrystfel/src/cell-utils.h | 31 |
1 files changed, 24 insertions, 7 deletions
diff --git a/libcrystfel/src/cell-utils.h b/libcrystfel/src/cell-utils.h index 5e2b2825..a97f2bfb 100644 --- a/libcrystfel/src/cell-utils.h +++ b/libcrystfel/src/cell-utils.h @@ -3,13 +3,13 @@ * * Unit Cell utility functions * - * Copyright © 2012-2017 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2019 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * Copyright © 2012 Lorenzo Galli * * Authors: - * 2009-2013,2014,2017 Thomas White <taw@physics.org> - * 2012 Lorenzo Galli + * 2009-2018 Thomas White <taw@physics.org> + * 2012 Lorenzo Galli * * This file is part of CrystFEL. * @@ -49,9 +49,9 @@ extern double resolution(UnitCell *cell, extern UnitCell *cell_rotate(UnitCell *in, struct quaternion quat); extern UnitCell *rotate_cell(UnitCell *in, double omega, double phi, double rot); -extern UnitCell *transform_cell_gsl(UnitCell *in, gsl_matrix *m); 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); @@ -66,7 +66,8 @@ extern int cell_is_sensible(UnitCell *cell); extern int validate_cell(UnitCell *cell); -extern UnitCell *uncenter_cell(UnitCell *in, UnitCellTransformation **t); +extern UnitCell *uncenter_cell(UnitCell *in, IntegerMatrix **pC, + RationalMatrix **pCi); extern int bravais_lattice(UnitCell *cell); @@ -80,8 +81,24 @@ extern int forbidden_reflection(UnitCell *cell, extern double cell_get_volume(UnitCell *cell); -extern int compare_cells(UnitCell *a, UnitCell *b, double ltl, double atl, - IntegerMatrix **pmb); +extern int compare_cell_parameters(UnitCell *cell1, UnitCell *cell2, + float ltl, float atl); + + +extern int compare_cell_parameters_and_orientation(UnitCell *cell1, + UnitCell *cell2, + const double ltl, + const double atl); + +extern int compare_reindexed_cell_parameters_and_orientation(UnitCell *a, + UnitCell *b, + double ltl, + double atl, + IntegerMatrix **pmb); + +extern int compare_reindexed_cell_parameters(UnitCell *cell, UnitCell *reference, + double ltl, double atl, + RationalMatrix **pmb); #ifdef __cplusplus } |