From 4476b7b18e263a70356fa93b257e7a2a3439c569 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Fri, 7 Jul 2023 16:51:44 +0200
Subject: Rename tests/gradient_panel_move.c -> tests/gradient_check.c

Because it does all types of gradient.
---
 tests/gradient_check.c | 141 +++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 141 insertions(+)
 create mode 100644 tests/gradient_check.c

(limited to 'tests/gradient_check.c')

diff --git a/tests/gradient_check.c b/tests/gradient_check.c
new file mode 100644
index 00000000..46d366d6
--- /dev/null
+++ b/tests/gradient_check.c
@@ -0,0 +1,141 @@
+/*
+ * gradient_panel_x.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 n_wrong_obsr = 0;
+	int fail = 0;
+	double step;
+	gsl_matrix **panel_matrices;
+
+	rps = make_test_image(&n_refls, &image);
+	panel_matrices = make_panel_minvs(image.detgeom);
+
+	before = make_dev_list(rps, n_refls, image.detgeom);
+
+	#ifdef MOVE_PANEL
+	step = 0.1;  /* Pixels */
+	image.detgeom->panels[0].THING_TO_MOVE += step;
+	#endif
+
+	#ifdef CHANGE_CELL
+	double asx, asy, asz, bsx, bsy, bsz, csx, csy, csz;
+	UnitCell *cell = crystal_get_cell(image.crystals[0]);
+	step = 0.5e5;
+	cell_get_reciprocal(cell, &asx, &asy, &asz,
+	                          &bsx, &bsy, &bsz,
+	                          &csx, &csy, &csz);
+	THING_TO_MOVE += step;
+	cell_set_reciprocal(cell, asx, asy, asz,
+	                          bsx, bsy, bsz,
+	                          csx, csy, csz);
+	#endif
+
+	update_predictions(image.crystals[0]);
+	after = make_dev_list(rps, n_refls, image.detgeom);
+
+	for ( i=0; i<n_refls; i++ ) {
+
+		float calc[3];
+		double obs[3];
+
+		calc[0] = r_gradient(TEST_GPARAM, rps[i].refl,
+		                     crystal_get_cell(image.crystals[0]),
+		                     image.lambda);
+
+		fs_ss_gradient(TEST_GPARAM, rps[i].refl,
+		               crystal_get_cell(image.crystals[0]),
+		               &image.detgeom->panels[rps[i].peak->pn],
+		               panel_matrices[rps[i].peak->pn],
+		               &calc[1], &calc[2]);
+
+		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;
+
+		#ifdef MOVE_PANEL
+		if ( fabs(calc[0]) > 1e-12 ) n_wrong_r++;  /* Should be zero */
+		if ( fabs(obs[0]) > 1e-12 ) n_wrong_obsr++;  /* Should also be zero */
+		if ( fabs(obs[1] - calc[1]) > 1e-3 ) n_wrong_fs++;
+		if ( fabs(obs[2] - calc[2]) > 1e-3 ) n_wrong_ss++;
+		#endif
+
+		#ifdef CHANGE_CELL
+		if ( fabs(obs[0] - calc[0]) > 1e-2 ) n_wrong_r++;
+		if ( fabs(obs[1] - calc[1]) > 1e-8 ) n_wrong_fs++;
+		if ( fabs(obs[2] - calc[2]) > 1e-8 ) n_wrong_ss++;
+		#endif
+
+	}
+
+	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;
+	}
+
+	if ( n_wrong_obsr > 0 ) {
+		fprintf(stderr, "%i out of %i observed R gradients were not zero as expected\n",
+		        n_wrong_obsr, n_refls);
+		fail = 1;
+	}
+
+	return fail;
+}
-- 
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