diff options
| author | Thomas White <taw@physics.org> | 2014-08-14 14:34:40 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2014-09-25 10:53:56 +0200 |
| commit | a06a3f67f57de0bc85982976b9ea6d598598e014 (patch) | |
| tree | 6eab60a0a40acacc27f5e07264043bfd617c859f /tests | |
| parent | 4ad4127092681a2190c682a736d8baecb1554328 (diff) | |
WIP on gradients for scsphere
Diffstat (limited to 'tests')
| -rw-r--r-- | tests/pr_p_gradient_check.c | 20 |
1 files changed, 12 insertions, 8 deletions
diff --git a/tests/pr_p_gradient_check.c b/tests/pr_p_gradient_check.c index b88380eb..82ed2b02 100644 --- a/tests/pr_p_gradient_check.c +++ b/tests/pr_p_gradient_check.c @@ -45,7 +45,8 @@ static void scan_partialities(RefList *reflections, RefList *compare, - int *valid, long double *vals[3], int idx) + int *valid, long double *vals[3], int idx, + PartialityModel pmodel) { int i; Reflection *refl; @@ -70,7 +71,7 @@ static void scan_partialities(RefList *reflections, RefList *compare, } get_partial(refl2, &r1, &r2, &p, &clamp_low, &clamp_high); - if ( clamp_low && clamp_high ) { + if ( clamp_low && clamp_high && (pmodel != PMODEL_SCSPHERE) ) { if ( !within_tolerance(p, 1.0, 0.001) ) { signed int h, k, l; @@ -190,7 +191,7 @@ static void calc_either_side(Crystal *cr, double incr_val, cr_new = new_shifted_crystal(cr, refine, -incr_val); compare = find_intersections(image, cr_new, pmodel); scan_partialities(crystal_get_reflections(cr), compare, valid, - vals, 0); + vals, 0, pmodel); cell_free(crystal_get_cell(cr_new)); crystal_free(cr_new); reflist_free(compare); @@ -198,7 +199,7 @@ static void calc_either_side(Crystal *cr, double incr_val, cr_new = new_shifted_crystal(cr, refine, +incr_val); compare = find_intersections(image, cr_new, pmodel); scan_partialities(crystal_get_reflections(cr), compare, valid, - vals, 2); + vals, 2, pmodel); cell_free(crystal_get_cell(cr_new)); crystal_free(cr_new); reflist_free(compare); @@ -212,14 +213,14 @@ static void calc_either_side(Crystal *cr, double incr_val, shift_parameter(&im_moved, refine, -incr_val); compare = find_intersections(&im_moved, cr, pmodel); scan_partialities(crystal_get_reflections(cr), compare, - valid, vals, 0); + valid, vals, 0, pmodel); reflist_free(compare); im_moved = *image; shift_parameter(&im_moved, refine, +incr_val); compare = find_intersections(&im_moved, cr, pmodel); scan_partialities(crystal_get_reflections(cr), compare, - valid, vals, 2); + valid, vals, 2, pmodel); reflist_free(compare); } @@ -271,7 +272,7 @@ static double test_gradients(Crystal *cr, double incr_val, int refine, } for ( i=0; i<nref; i++ ) valid[i] = 1; - scan_partialities(reflections, reflections, valid, vals, 1); + scan_partialities(reflections, reflections, valid, vals, 1, pmodel); calc_either_side(cr, incr_val, valid, vals, refine, pmodel); @@ -450,7 +451,7 @@ int main(int argc, char *argv[]) rng = gsl_rng_alloc(gsl_rng_mt19937); - for ( i=0; i<3; i++ ) { + for ( i=0; i<4; i++ ) { UnitCell *rot; double val; @@ -467,6 +468,9 @@ int main(int argc, char *argv[]) } else if ( i == 2 ) { pmodel = PMODEL_THIN; STATUS("Testing Thin Ewald Sphere model:\n"); + } else if ( i == 3 ) { + pmodel = PMODEL_SCSPHERE; + STATUS("Testing SCSphere model:\n"); } else { ERROR("WTF?\n"); return 1; |