diff options
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/cell.c | 7 | ||||
| -rw-r--r-- | libcrystfel/src/cell.h | 2 | ||||
| -rw-r--r-- | libcrystfel/src/index.c | 6 | ||||
| -rw-r--r-- | libcrystfel/src/index.h | 2 |
4 files changed, 8 insertions, 9 deletions
diff --git a/libcrystfel/src/cell.c b/libcrystfel/src/cell.c index c31697bc..a6df931b 100644 --- a/libcrystfel/src/cell.c +++ b/libcrystfel/src/cell.c @@ -669,7 +669,7 @@ static int same_vector(struct cvec a, struct cvec b) /* Attempt to make 'cell' fit into 'template' somehow */ UnitCell *match_cell(UnitCell *cell, UnitCell *template, int verbose, - int reduce) + float *tols, int reduce) { signed int n1l, n2l, n3l; double asx, asy, asz; @@ -683,8 +683,7 @@ UnitCell *match_cell(UnitCell *cell, UnitCell *template, int verbose, float best_fom = +999999999.9; /* Large number.. */ int ncand[3] = {0,0,0}; signed int ilow, ihigh; - float ltl = 5.0; /* percent */ - float angtol = deg2rad(1.5); + float angtol = deg2rad(tols[3]); if ( cell_get_reciprocal(template, &asx, &asy, &asz, &bsx, &bsy, &bsz, @@ -753,7 +752,7 @@ UnitCell *match_cell(UnitCell *cell, UnitCell *template, int verbose, /* Test modulus for agreement with moduli of template */ for ( i=0; i<3; i++ ) { - if ( !within_tolerance(lengths[i], tlen, ltl) ) + if ( !within_tolerance(lengths[i], tlen, tols[i]) ) continue; cand[i][ncand[i]].vec.u = tx; diff --git a/libcrystfel/src/cell.h b/libcrystfel/src/cell.h index 72c0b6df..e69ce721 100644 --- a/libcrystfel/src/cell.h +++ b/libcrystfel/src/cell.h @@ -96,7 +96,7 @@ extern UnitCell *rotate_cell(UnitCell *in, double omega, double phi, extern void cell_print(UnitCell *cell); extern UnitCell *match_cell(UnitCell *cell, UnitCell *tempcell, int verbose, - int reduce); + float *ltl, int reduce); extern UnitCell *match_cell_ab(UnitCell *cell, UnitCell *tempcell); diff --git a/libcrystfel/src/index.c b/libcrystfel/src/index.c index 34a5dda3..56b34baa 100644 --- a/libcrystfel/src/index.c +++ b/libcrystfel/src/index.c @@ -139,7 +139,7 @@ void map_all_peaks(struct image *image) void index_pattern(struct image *image, UnitCell *cell, IndexingMethod *indm, int cellr, int verbose, IndexingPrivate **ipriv, - int config_insane) + int config_insane, float *ltl) { int i; int n = 0; @@ -191,10 +191,10 @@ void index_pattern(struct image *image, UnitCell *cell, IndexingMethod *indm, new_cell = cell_new_from_cell(cand); break; case CELLR_REDUCE : - new_cell = match_cell(cand, cell, verbose, 1); + new_cell = match_cell(cand, cell, verbose, ltl, 1); break; case CELLR_COMPARE : - new_cell = match_cell(cand, cell, verbose, 0); + new_cell = match_cell(cand, cell, verbose, ltl, 0); break; case CELLR_COMPARE_AB : new_cell = match_cell_ab(cand, cell); diff --git a/libcrystfel/src/index.h b/libcrystfel/src/index.h index 9d4b69bd..1457e93f 100644 --- a/libcrystfel/src/index.h +++ b/libcrystfel/src/index.h @@ -54,7 +54,7 @@ extern void map_all_peaks(struct image *image); extern void index_pattern(struct image *image, UnitCell *cell, IndexingMethod *indm, int cellr, int verbose, - IndexingPrivate **priv, int config_insane); + IndexingPrivate **priv, int config_insane, float *ltl); extern void cleanup_indexing(IndexingPrivate **priv); |