From a06a3f67f57de0bc85982976b9ea6d598598e014 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Thu, 14 Aug 2014 14:34:40 +0200
Subject: WIP on gradients for scsphere

---
 tests/pr_p_gradient_check.c | 20 ++++++++++++--------
 1 file changed, 12 insertions(+), 8 deletions(-)

(limited to 'tests')

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;
-- 
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