Add tests/gradient_cell_asx

2 files changed, 120 insertions, 1 deletions

diff --git a/tests/gradient_cell_asx.c b/tests/gradient_cell_asx.c
new file mode 100644
index 00000000..47649286
--- /dev/null
+++ b/tests/gradient_cell_asx.c
@@ -0,0 +1,118 @@
+/*
+ * gradient_panel_asx.c
+ *
+ * Check gradients for prediction refinement
+ *
+ * Copyright © 2012-2023 Deutsches Elektronen-Synchrotron DESY,
+ *                       a research centre of the Helmholtz Association.
+ *
+ * Authors:
+ *   2012-2023 Thomas White <taw@physics.org>
+ *
+ * This file is part of CrystFEL.
+ *
+ * CrystFEL is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * CrystFEL is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with CrystFEL.  If not, see <http://www.gnu.org/licenses/>.
+ *
+ */
+
+#include <stdlib.h>
+#include <stdio.h>
+#include <getopt.h>
+
+#include <image.h>
+#include <geometry.h>
+#include <predict-refine.h>
+
+#include "gradient_check_utils.h"
+
+
+int main(int argc, char *argv[])
+{
+	struct image image;
+	struct reflpeak *rps;
+	int n_refls;
+	double **before;
+	double **after;
+	int i;
+	int n_wrong_r = 0;
+	int n_wrong_fs = 0;
+	int n_wrong_ss = 0;
+	int fail = 0;
+	double step = 1e4;
+	double asx, asy, asz;
+	double bsx, bsy, bsz;
+	double csx, csy, csz;
+
+	rps = make_test_image(&n_refls, &image);
+
+	before = make_dev_list(rps, n_refls, image.detgeom);
+	image.detgeom->panels[0].cnx += step;
+	cell_get_reciprocal(crystal_get_cell(image.crystals[0]),
+	                    &asx, &asy, &asz,
+	                    &bsx, &bsy, &bsz,
+	                    &csx, &csy, &csz);
+	asx += step;
+	cell_set_reciprocal(crystal_get_cell(image.crystals[0]),
+	                    asx, asy, asz,
+	                    bsx, bsy, bsz,
+	                    csx, csy, csz);
+	update_predictions(image.crystals[0]);
+	after = make_dev_list(rps, n_refls, image.detgeom);
+
+	for ( i=0; i<n_refls; i++ ) {
+
+		double calc[3];
+		double obs[3];
+
+		calc[0] = r_gradient(GPARAM_ASX, rps[i].refl,
+		                     crystal_get_cell(image.crystals[0]),
+		                     image.lambda);
+
+		calc[1] = fs_gradient(GPARAM_ASX, rps[i].refl,
+		                      crystal_get_cell(image.crystals[0]),
+		                      rps[i].panel);
+
+		calc[2] = ss_gradient(GPARAM_ASX, rps[i].refl,
+		                      crystal_get_cell(image.crystals[0]),
+		                      rps[i].panel);
+
+		obs[0] = (after[0][i] - before[0][i]) / step;
+		obs[1] = (after[1][i] - before[1][i]) / step;
+		obs[2] = (after[2][i] - before[2][i]) / step;
+
+		if ( fabs(obs[0] - calc[0]) > 0.001 ) n_wrong_r++;
+		if ( fabs(obs[1] - calc[1]) > 1e-6 ) n_wrong_fs++;
+		if ( fabs(obs[2] - calc[2]) > 1e-6 ) n_wrong_ss++;
+	}
+
+	if ( n_wrong_r > 0 ) {
+		fprintf(stderr, "%i out of %i R gradients were wrong.\n",
+		        n_wrong_r, n_refls);
+		fail = 1;
+	}
+
+	if ( n_wrong_fs > 0 ) {
+		fprintf(stderr, "%i out of %i fs gradients were wrong.\n",
+		        n_wrong_fs, n_refls);
+		fail = 1;
+	}
+
+	if ( n_wrong_ss > 0 ) {
+		fprintf(stderr, "%i out of %i ss gradients were wrong.\n",
+		        n_wrong_ss, n_refls);
+		fail = 1;
+	}
+
+	return fail;
+}
diff --git a/tests/meson.build b/tests/meson.build
index 7fb6e83b..6388a680 100644
--- a/tests/meson.build
+++ b/tests/meson.build
@@ -97,7 +97,8 @@ test('prof2d_check', exe)
 
 
 # Refinement gradient checks
-gradient_tests = ['gradient_panel_x']
+gradient_tests = ['gradient_panel_x',
+                  'gradient_cell_asx']
 
 foreach name : gradient_tests
   exe = executable(name,