diff options
Diffstat (limited to 'libcrystfel/src/cell.c')
| -rw-r--r-- | libcrystfel/src/cell.c | 32 |
1 files changed, 14 insertions, 18 deletions
diff --git a/libcrystfel/src/cell.c b/libcrystfel/src/cell.c index 32e45856..130a24b1 100644 --- a/libcrystfel/src/cell.c +++ b/libcrystfel/src/cell.c @@ -910,6 +910,7 @@ UnitCell *cell_transform_rational(UnitCell *cell, RationalMatrix *m) UnitCell *out; gsl_matrix *tm; char ncen; + int i, j; if ( m == NULL ) return NULL; @@ -918,15 +919,12 @@ UnitCell *cell_transform_rational(UnitCell *cell, RationalMatrix *m) return NULL; } - gsl_matrix_set(tm, 0, 0, rtnl_as_double(rtnl_mtx_get(m, 0, 0))); - gsl_matrix_set(tm, 0, 1, rtnl_as_double(rtnl_mtx_get(m, 0, 1))); - gsl_matrix_set(tm, 0, 2, rtnl_as_double(rtnl_mtx_get(m, 0, 2))); - gsl_matrix_set(tm, 1, 0, rtnl_as_double(rtnl_mtx_get(m, 1, 0))); - gsl_matrix_set(tm, 1, 1, rtnl_as_double(rtnl_mtx_get(m, 1, 1))); - gsl_matrix_set(tm, 1, 2, rtnl_as_double(rtnl_mtx_get(m, 1, 2))); - gsl_matrix_set(tm, 2, 0, rtnl_as_double(rtnl_mtx_get(m, 2, 0))); - gsl_matrix_set(tm, 2, 1, rtnl_as_double(rtnl_mtx_get(m, 2, 1))); - gsl_matrix_set(tm, 2, 2, rtnl_as_double(rtnl_mtx_get(m, 2, 2))); + for ( i=0; i<3; i++ ) { + for ( j=0; j<3; j++ ) { + gsl_matrix_set(tm, i, j, + rtnl_as_double(rtnl_mtx_get(m, i, j))); + } + } out = cell_transform_gsl_direct(cell, tm); gsl_matrix_free(tm); @@ -983,6 +981,7 @@ UnitCell *cell_transform_rational_inverse(UnitCell *cell, RationalMatrix *m) gsl_matrix *inv; gsl_permutation *perm; int s; + int i, j; if ( m == NULL ) return NULL; @@ -991,15 +990,12 @@ UnitCell *cell_transform_rational_inverse(UnitCell *cell, RationalMatrix *m) return NULL; } - gsl_matrix_set(tm, 0, 0, rtnl_as_double(rtnl_mtx_get(m, 0, 0))); - gsl_matrix_set(tm, 0, 1, rtnl_as_double(rtnl_mtx_get(m, 0, 1))); - gsl_matrix_set(tm, 0, 2, rtnl_as_double(rtnl_mtx_get(m, 0, 2))); - gsl_matrix_set(tm, 1, 0, rtnl_as_double(rtnl_mtx_get(m, 1, 0))); - gsl_matrix_set(tm, 1, 1, rtnl_as_double(rtnl_mtx_get(m, 1, 1))); - gsl_matrix_set(tm, 1, 2, rtnl_as_double(rtnl_mtx_get(m, 1, 2))); - gsl_matrix_set(tm, 2, 0, rtnl_as_double(rtnl_mtx_get(m, 2, 0))); - gsl_matrix_set(tm, 2, 1, rtnl_as_double(rtnl_mtx_get(m, 2, 1))); - gsl_matrix_set(tm, 2, 2, rtnl_as_double(rtnl_mtx_get(m, 2, 2))); + for ( i=0; i<3; i++ ) { + for ( j=0; j<3; j++ ) { + gsl_matrix_set(tm, i, j, + rtnl_as_double(rtnl_mtx_get(m, i, j))); + } + } perm = gsl_permutation_alloc(3); if ( perm == NULL ) { |