diff options
author | Thomas White <taw@physics.org> | 2016-10-19 12:03:12 +0200 |
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committer | Thomas White <taw@physics.org> | 2016-10-19 12:03:12 +0200 |
commit | 5d71f98e2655c6a6738e11040bdb3970cb1406f8 (patch) | |
tree | 80525fdcd40307b6a5cf3b30292aceb10b6807e1 | |
parent | 22a20b5b3374a4c776c6efcbed738434cc1c9a6b (diff) |
Generate the resulting cell
-rw-r--r-- | libcrystfel/src/taketwo.c | 17 |
1 files changed, 4 insertions, 13 deletions
diff --git a/libcrystfel/src/taketwo.c b/libcrystfel/src/taketwo.c index 55b347d7..f3b9da5a 100644 --- a/libcrystfel/src/taketwo.c +++ b/libcrystfel/src/taketwo.c @@ -90,6 +90,7 @@ struct taketwo_private /** TODO: * * - May need to be capable of playing with the tolerances/#defined stuff. + * - Multiple lattices */ @@ -815,15 +816,6 @@ static int gen_theoretical_vecs(UnitCell *cell, struct rvec **cell_vecs, } -static void generate_basis_vectors(UnitCell *cell, gsl_matrix *rot, - struct rvec *a_star, struct rvec *b_star, - struct rvec *c_star) -{ - /* FIXME: more matrix stuff - multiply cell matrix by rotation matrix - * and extract the reciprocal axes from the definition of the matrix. - */ -} - /* ------------------------------------------------------------------------ * cleanup functions - called from run_taketwo(). * ------------------------------------------------------------------------*/ @@ -858,12 +850,11 @@ static void cleanup_taketwo_obs_vecs(struct SpotVec *obs_vecs, * @rot: pointer to be given an assignment (hopefully) if indexing is * successful. **/ -int run_taketwo(UnitCell *cell, struct rvec *rlps, - int rlp_count, struct rvec *a_star, struct rvec *b_star, - struct rvec *c_star) +static UnitCell *run_taketwo(UnitCell *cell, struct rvec *rlps, int rlp_count) { int cell_vec_count = 0; struct rvec *cell_vecs = NULL; + UnitCell *result; int success = 0; success = gen_theoretical_vecs(cell, &cell_vecs, &cell_vec_count); @@ -897,7 +888,7 @@ int run_taketwo(UnitCell *cell, struct rvec *rlps, find_seed_and_network(obs_vecs, obs_vec_count, &solution); - generate_basis_vectors(cell, solution, a_star, b_star, c_star); + result = transform_cell_gsl(cell, solution); cleanup_taketwo_obs_vecs(obs_vecs, obs_vec_count); |