diff options
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/taketwo.c | 21 |
1 files changed, 10 insertions, 11 deletions
diff --git a/libcrystfel/src/taketwo.c b/libcrystfel/src/taketwo.c index 0ea4c499..08b78af4 100644 --- a/libcrystfel/src/taketwo.c +++ b/libcrystfel/src/taketwo.c @@ -317,7 +317,7 @@ static double matrix_trace(gsl_matrix *a) } static int symm_rot_mats_are_similar(gsl_matrix *rot1, gsl_matrix *rot2, - struct TakeTwoCell *cell) + struct TakeTwoCell *cell) { } @@ -808,13 +808,12 @@ static int start_seed(struct SpotVec *obs_vecs, int obs_vec_count, int i, } static int weed_duplicate_matches(struct SpotVec *her_obs, - struct SpotVec *his_obs, - int **her_match_idxs, int **his_match_idxs, - int *match_count, struct TakeTwoCell *cell) + struct SpotVec *his_obs, + int **her_match_idxs, int **his_match_idxs, + int *match_count, struct TakeTwoCell *cell) { gsl_matrix **old_mats = calloc(sizeof(gsl_matrix *) * match_count); int num_occupied = 0; - signed int i, j; for (i = match_count - 1; i >= 0; i++) { @@ -827,11 +826,12 @@ static int weed_duplicate_matches(struct SpotVec *her_obs, struct rvec j_cellvec = his_obs->matches[his_match]; gsl_matrix *mat = generate_rot_mat(i_obsvec, j_obsvec, - i_cellvec, j_cellvec); + i_cellvec, j_cellvec); for (j = 0; j < num_occupied; j++) { if (old_mats[j] && - symm_rot_mats_are_similar(old_mats[j], mat, cell)) { + symm_rot_mats_are_similar(old_mats[j], mat, cell)) + { // we have found a duplicate, so flag as bad. (*her_match_idxs)[i] = -1; (*his_match_idxs)[i] = -1; @@ -1361,15 +1361,14 @@ IndexingPrivate *taketwo_prepare(IndexingMethod *indm, UnitCell *cell, STATUS("Welcome to TakeTwo\n"); STATUS("If you use these indexing results, please cite:\n"); STATUS("Ginn et al., Acta Cryst. (2016). D72, 956-965\n"); - - + tp = malloc(sizeof(struct taketwo_private)); if ( tp == NULL ) return NULL; - + tp->ltl = ltl; tp->cell = cell; tp->indm = *indm; - + return (IndexingPrivate *)tp; } |