diff options
Diffstat (limited to 'libcrystfel/src/cell.c')
| -rw-r--r-- | libcrystfel/src/cell.c | 60 |
1 files changed, 30 insertions, 30 deletions
diff --git a/libcrystfel/src/cell.c b/libcrystfel/src/cell.c index 130a24b1..5e00ac9c 100644 --- a/libcrystfel/src/cell.c +++ b/libcrystfel/src/cell.c @@ -368,13 +368,13 @@ static int cell_invert(double ax, double ay, double az, return 1; } gsl_matrix_set(m, 0, 0, ax); - gsl_matrix_set(m, 0, 1, bx); - gsl_matrix_set(m, 0, 2, cx); gsl_matrix_set(m, 1, 0, ay); - gsl_matrix_set(m, 1, 1, by); - gsl_matrix_set(m, 1, 2, cy); gsl_matrix_set(m, 2, 0, az); + gsl_matrix_set(m, 0, 1, bx); + gsl_matrix_set(m, 1, 1, by); gsl_matrix_set(m, 2, 1, bz); + gsl_matrix_set(m, 0, 2, cx); + gsl_matrix_set(m, 1, 2, cy); gsl_matrix_set(m, 2, 2, cz); /* Invert */ @@ -410,13 +410,13 @@ static int cell_invert(double ax, double ay, double az, gsl_matrix_transpose(inv); *asx = gsl_matrix_get(inv, 0, 0); - *bsx = gsl_matrix_get(inv, 0, 1); - *csx = gsl_matrix_get(inv, 0, 2); *asy = gsl_matrix_get(inv, 1, 0); - *bsy = gsl_matrix_get(inv, 1, 1); - *csy = gsl_matrix_get(inv, 1, 2); *asz = gsl_matrix_get(inv, 2, 0); + *bsx = gsl_matrix_get(inv, 0, 1); + *bsy = gsl_matrix_get(inv, 1, 1); *bsz = gsl_matrix_get(inv, 2, 1); + *csx = gsl_matrix_get(inv, 0, 2); + *csy = gsl_matrix_get(inv, 1, 2); *csz = gsl_matrix_get(inv, 2, 2); gsl_matrix_free(inv); @@ -630,27 +630,27 @@ UnitCell *cell_transform_gsl_direct(UnitCell *in, gsl_matrix *m) c = gsl_matrix_alloc(3, 3); gsl_matrix_set(c, 0, 0, asx); - gsl_matrix_set(c, 0, 1, asy); - gsl_matrix_set(c, 0, 2, asz); - gsl_matrix_set(c, 1, 0, bsx); + gsl_matrix_set(c, 1, 0, asy); + gsl_matrix_set(c, 2, 0, asz); + gsl_matrix_set(c, 0, 1, bsx); gsl_matrix_set(c, 1, 1, bsy); - gsl_matrix_set(c, 1, 2, bsz); - gsl_matrix_set(c, 2, 0, csx); - gsl_matrix_set(c, 2, 1, csy); + gsl_matrix_set(c, 2, 1, bsz); + gsl_matrix_set(c, 0, 2, csx); + gsl_matrix_set(c, 1, 2, csy); gsl_matrix_set(c, 2, 2, csz); res = gsl_matrix_calloc(3, 3); - gsl_blas_dgemm(CblasNoTrans, CblasNoTrans, 1.0, m, c, 0.0, res); + gsl_blas_dgemm(CblasNoTrans, CblasNoTrans, 1.0, c, m, 0.0, res); out = cell_new_from_cell(in); cell_set_cartesian(out, gsl_matrix_get(res, 0, 0), - gsl_matrix_get(res, 0, 1), - gsl_matrix_get(res, 0, 2), gsl_matrix_get(res, 1, 0), - gsl_matrix_get(res, 1, 1), - gsl_matrix_get(res, 1, 2), gsl_matrix_get(res, 2, 0), + gsl_matrix_get(res, 0, 1), + gsl_matrix_get(res, 1, 1), gsl_matrix_get(res, 2, 1), + gsl_matrix_get(res, 0, 2), + gsl_matrix_get(res, 1, 2), gsl_matrix_get(res, 2, 2)); gsl_matrix_free(res); @@ -673,27 +673,27 @@ UnitCell *cell_transform_gsl_reciprocal(UnitCell *in, gsl_matrix *m) c = gsl_matrix_alloc(3, 3); gsl_matrix_set(c, 0, 0, asx); - gsl_matrix_set(c, 0, 1, asy); - gsl_matrix_set(c, 0, 2, asz); - gsl_matrix_set(c, 1, 0, bsx); + gsl_matrix_set(c, 1, 0, asy); + gsl_matrix_set(c, 2, 0, asz); + gsl_matrix_set(c, 0, 1, bsx); gsl_matrix_set(c, 1, 1, bsy); - gsl_matrix_set(c, 1, 2, bsz); - gsl_matrix_set(c, 2, 0, csx); - gsl_matrix_set(c, 2, 1, csy); + gsl_matrix_set(c, 2, 1, bsz); + gsl_matrix_set(c, 0, 2, csx); + gsl_matrix_set(c, 1, 2, csy); gsl_matrix_set(c, 2, 2, csz); res = gsl_matrix_calloc(3, 3); - gsl_blas_dgemm(CblasNoTrans, CblasNoTrans, 1.0, m, c, 0.0, res); + gsl_blas_dgemm(CblasNoTrans, CblasNoTrans, 1.0, c, m, 0.0, res); out = cell_new_from_cell(in); cell_set_reciprocal(out, gsl_matrix_get(res, 0, 0), - gsl_matrix_get(res, 0, 1), - gsl_matrix_get(res, 0, 2), gsl_matrix_get(res, 1, 0), - gsl_matrix_get(res, 1, 1), - gsl_matrix_get(res, 1, 2), gsl_matrix_get(res, 2, 0), + gsl_matrix_get(res, 0, 1), + gsl_matrix_get(res, 1, 1), gsl_matrix_get(res, 2, 1), + gsl_matrix_get(res, 0, 2), + gsl_matrix_get(res, 1, 2), gsl_matrix_get(res, 2, 2)); gsl_matrix_free(res); |