diff options
| author | Thomas White <taw@physics.org> | 2019-03-11 17:49:11 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-03-11 17:49:11 +0100 |
| commit | 2fa8ae0c7b042891d3f1dccedbd124e840dda68e (patch) | |
| tree | 408fcabf80dc4372837185a4b97b67652b5dd8a2 /libcrystfel | |
| parent | 81b02525b7843fdb4d158d818bc7c5031c265456 (diff) | |
TakeTwo: take change in IntegerMatrix notation into account
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/taketwo.c | 23 |
1 files changed, 16 insertions, 7 deletions
diff --git a/libcrystfel/src/taketwo.c b/libcrystfel/src/taketwo.c index 678b5c72..458f90f9 100644 --- a/libcrystfel/src/taketwo.c +++ b/libcrystfel/src/taketwo.c @@ -1573,7 +1573,8 @@ static unsigned int start_seeds(gsl_matrix **rotation, struct TakeTwoCell *cell) } -static void set_gsl_matrix(gsl_matrix *mat, double asx, double asy, double asz, +static void set_gsl_matrix(gsl_matrix *mat, + double asx, double asy, double asz, double bsx, double bsy, double bsz, double csx, double csy, double csz) { @@ -1602,15 +1603,23 @@ static int generate_rotation_sym_ops(struct TakeTwoCell *ttCell) gsl_matrix *recip = gsl_matrix_alloc(3, 3); gsl_matrix *cart = gsl_matrix_alloc(3, 3); - cell_get_reciprocal(ttCell->cell, &asx, &asy, &asz, &bsx, &bsy, - &bsz, &csx, &csy, &csz); - set_gsl_matrix(recip, asx, asy, asz, bsx, bsy, bsz, csx, csy, csz); + cell_get_reciprocal(ttCell->cell, &asx, &asy, &asz, + &bsx, &bsy, &bsz, + &csx, &csy, &csz); - cell_get_cartesian(ttCell->cell, &asx, &asy, &asz, &bsx, &bsy, - &bsz, &csx, &csy, &csz); + set_gsl_matrix(recip, asx, asy, asz, + asx, bsy, bsz, + csx, csy, csz); + + cell_get_cartesian(ttCell->cell, &asx, &asy, &asz, + &bsx, &bsy, &bsz, + &csx, &csy, &csz); + + set_gsl_matrix(cart, asx, bsx, csx, + asy, bsy, csy, + asz, bsz, csz); - set_gsl_matrix(cart, asx, asy, asz, bsx, bsy, bsz, csx, csy, csz); int i, j, k; int numOps = num_equivs(rawList, NULL); |