diff options
| author | Thomas White <taw@physics.org> | 2019-03-26 15:13:45 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-04-05 15:56:03 +0200 |
| commit | 051077e3bcb44822713ec341a25e853fbbc1c811 (patch) | |
| tree | 3fcd3f237cd69975b6a3f78816f595c420285e8a /libcrystfel | |
| parent | 1089be21d221067cfd2bdefe44d4ec4a3654cf17 (diff) | |
cell_tool: Add --csl
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/cell-utils.c | 12 | ||||
| -rw-r--r-- | libcrystfel/src/cell-utils.h | 2 |
2 files changed, 7 insertions, 7 deletions
diff --git a/libcrystfel/src/cell-utils.c b/libcrystfel/src/cell-utils.c index 2a3bcfa2..847ddb55 100644 --- a/libcrystfel/src/cell-utils.c +++ b/libcrystfel/src/cell-utils.c @@ -1875,7 +1875,7 @@ static int cmpcand(const void *av, const void *bv) static Rational *find_candidates(double len, double *a, double *b, double *c, - double ltl, int *pncand) + double ltl, int csl, int *pncand) { Rational *r; struct cand *cands; @@ -1890,7 +1890,7 @@ static Rational *find_candidates(double len, double *a, double *b, double *c, cands = malloc(max_cand * sizeof(struct cand)); if ( cands == NULL ) return NULL; - rat = rtnl_list(-5, 5, 1, 4, &nrat); + rat = rtnl_list(-5, 5, 1, csl ? 4 : 1, &nrat); if ( rat == NULL ) return NULL; for ( ia=0; ia<nrat; ia++ ) { @@ -1999,7 +1999,7 @@ static double g6_distance(double a1, double b1, double c1, * */ int compare_reindexed_cell_parameters(UnitCell *cell_in, UnitCell *reference_in, - double ltl, double atl, + double ltl, double atl, int csl, RationalMatrix **pmb) { UnitCell *cell; @@ -2036,9 +2036,9 @@ int compare_reindexed_cell_parameters(UnitCell *cell_in, UnitCell *reference_in, &cv[0], &cv[1], &cv[2]); /* Find vectors in 'cell' with lengths close to a, b and c */ - cand_a = find_candidates(a, av, bv, cv, ltl, &ncand_a); - cand_b = find_candidates(b, av, bv, cv, ltl, &ncand_b); - cand_c = find_candidates(c, av, bv, cv, ltl, &ncand_c); + cand_a = find_candidates(a, av, bv, cv, ltl, csl, &ncand_a); + cand_b = find_candidates(b, av, bv, cv, ltl, csl, &ncand_b); + cand_c = find_candidates(c, av, bv, cv, ltl, csl, &ncand_c); if ( (ncand_a==0) || (ncand_b==0) || (ncand_c==0) ) { *pmb = NULL; diff --git a/libcrystfel/src/cell-utils.h b/libcrystfel/src/cell-utils.h index a97f2bfb..79c98e61 100644 --- a/libcrystfel/src/cell-utils.h +++ b/libcrystfel/src/cell-utils.h @@ -97,7 +97,7 @@ extern int compare_reindexed_cell_parameters_and_orientation(UnitCell *a, IntegerMatrix **pmb); extern int compare_reindexed_cell_parameters(UnitCell *cell, UnitCell *reference, - double ltl, double atl, + double ltl, double atl, int csl, RationalMatrix **pmb); #ifdef __cplusplus |