diff options
Diffstat (limited to 'libcrystfel/src')
| -rw-r--r-- | libcrystfel/src/taketwo.c | 19 |
1 files changed, 19 insertions, 0 deletions
diff --git a/libcrystfel/src/taketwo.c b/libcrystfel/src/taketwo.c index 72ca414e..bb5fb975 100644 --- a/libcrystfel/src/taketwo.c +++ b/libcrystfel/src/taketwo.c @@ -29,6 +29,7 @@ */ #include <gsl/gsl_matrix.h> +#include <gsl/gsl_blas.h> #include <math.h> #include "cell-utils.h" @@ -252,6 +253,16 @@ static gsl_matrix *rotation_between_vectors(struct rvec a, struct rvec b) } +static gsl_vector *rvec_to_gsl(struct rvec v) +{ + gsl_vector *a = gsl_vector_alloc(3); + gsl_vector_set(a, 0, v.u); + gsl_vector_set(a, 1, v.v); + gsl_vector_set(a, 2, v.w); + return a; +} + + /* Code me in gsl_matrix language to copy the contents of the function * in cppxfel (IndexingSolution::createSolution). This function is quite * intensive on the number crunching side so simple angle checks are used @@ -263,10 +274,18 @@ static int generate_rot_mat(struct rvec obs1, struct rvec obs2, gsl_matrix *rotateSpotDiffMatrix; gsl_matrix *secondTwizzleMatrix; gsl_matrix *fullMat; + gsl_vector *zero = gsl_vector_calloc(3); + gsl_vector *obs2v = rvec_to_gsl(obs2); /* Rotate reciprocal space so that the first observed vector lines up * with the simulated vector. */ rotateSpotDiffMatrix = rotation_between_vectors(obs1, cell1); + + normalise_rvec(&cell1); + + /* Multiply obs2 by rotateSpotDiffMatrix */ + gsl_blas_dgemv(CblasNoTrans, 1.0, rotateSpotDiffMatrix, obs2v, + 0.0, zero); return 1; } |