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[hkl.git] / tests / hkl-sample-t.c
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1 /* This file is part of the hkl library.
3 * The hkl library is free software: you can redistribute it and/or modify
4 * it under the terms of the GNU General Public License as published by
5 * the Free Software Foundation, either version 3 of the License, or
6 * (at your option) any later version.
8 * The hkl library is distributed in the hope that it will be useful,
9 * but WITHOUT ANY WARRANTY; without even the implied warranty of
10 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
11 * GNU General Public License for more details.
13 * You should have received a copy of the GNU General Public License
14 * along with the hkl library. If not, see <http://www.gnu.org/licenses/>.
16 * Copyright (C) 2003-2016 Synchrotron SOLEIL
17 * L'Orme des Merisiers Saint-Aubin
18 * BP 48 91192 GIF-sur-YVETTE CEDEX
20 * Authors: Picca Frédéric-Emmanuel <picca@synchrotron-soleil.fr>
22 #include "hkl.h"
23 #include <tap/basic.h>
24 #include <tap/float.h>
25 #include <tap/hkl-tap.h>
27 #define SET(_sample, _param, _value) do{ \
28 HklParameter *parameter = hkl_parameter_new_copy(hkl_sample_ ## _param ## _get(_sample)); \
29 GError *error; \
30 ok(TRUE == hkl_parameter_value_set(parameter, _value, HKL_UNIT_DEFAULT, NULL), __func__); \
31 error = NULL; \
32 ok(TRUE == hkl_parameter_value_set(parameter, _value, HKL_UNIT_DEFAULT, &error), __func__); \
33 ok(error == NULL, __func__); \
34 ok(TRUE == hkl_sample_ ## _param ## _set(_sample, parameter, NULL), __func__); \
35 ok(TRUE == hkl_sample_ ## _param ## _set(_sample, parameter, &error), __func__); \
36 ok(error == NULL, __func__); \
37 hkl_parameter_free(parameter); \
38 }while(0)
40 #define SET_UX_UY_UZ(_sample, _ux, _uy, _uz) do{ \
41 SET(_sample, ux, _ux);\
42 SET(_sample, uy, _uy);\
43 SET(_sample, uz, _uz);\
44 }while(0)
46 #define CHECK(_sample, _param, _value) do{ \
47 is_double(_value, \
48 hkl_parameter_value_get(hkl_sample_## _param ## _get(sample), HKL_UNIT_DEFAULT), \
49 HKL_EPSILON, __func__); \
50 }while(0)
52 #define CHECK_UX_UY_UZ(_sample, _ux, _uy, _uz) do{ \
53 CHECK(_sample, ux, _ux); \
54 CHECK(_sample, uy, _uy); \
55 CHECK(_sample, uz, _uz); \
56 }while(0)
59 static void new(void)
61 HklSample *sample;
63 sample = hkl_sample_new("test");
65 hkl_sample_free(sample);
68 static void add_reflection(void)
70 HklDetector *detector;
71 const HklFactory *factory;
72 HklGeometry *geometry;
73 HklSample *sample;
74 HklSampleReflection *ref;
76 factory = hkl_factory_get_by_name("E4CV", NULL);
77 geometry = hkl_factory_create_new_geometry(factory);
79 detector = hkl_detector_factory_new(HKL_DETECTOR_TYPE_0D);
81 sample = hkl_sample_new("test");
83 ok(hkl_sample_n_reflections_get(sample) == 0, __func__);
84 ref = hkl_sample_reflection_new(geometry, detector, 1, 0, 0, NULL);
85 hkl_sample_add_reflection(sample, ref);
86 ok(hkl_sample_n_reflections_get(sample) == 1, __func__);
88 /* we can not add two times the same reflection */
89 hkl_sample_add_reflection(sample, ref);
90 ok(hkl_sample_n_reflections_get(sample) == 1, __func__);
92 hkl_sample_free(sample);
93 hkl_detector_free(detector);
94 hkl_geometry_free(geometry);
97 static void get_reflection(void)
99 HklDetector *detector;
100 const HklFactory *factory;
101 HklGeometry *geometry;
102 HklSample *sample;
103 HklSampleReflection *ref;
104 HklSampleReflection *ref2;
106 factory = hkl_factory_get_by_name("E4CV", NULL);
107 geometry = hkl_factory_create_new_geometry(factory);
109 detector = hkl_detector_factory_new(HKL_DETECTOR_TYPE_0D);
111 sample = hkl_sample_new("test");
113 ref = hkl_sample_reflection_new(geometry, detector, 1, 0, 0, NULL);
114 hkl_sample_add_reflection(sample, ref);
115 ref2 = hkl_sample_reflections_first_get(sample);
116 ok(0 == !ref, __func__);
117 ok(ref == ref2, __func__);
118 ok(NULL == hkl_sample_reflections_next_get(sample, ref2), __func__);
120 ref = hkl_sample_reflection_new(geometry, detector, -1, 0, 0, NULL);
121 hkl_sample_add_reflection(sample, ref);
122 ref = hkl_sample_reflection_new(geometry, detector, 0, 1, 0, NULL);
123 hkl_sample_add_reflection(sample, ref);
125 hkl_sample_free(sample);
126 hkl_detector_free(detector);
127 hkl_geometry_free(geometry);
130 static void del_reflection(void)
132 HklDetector *detector;
133 const HklFactory *factory;
134 HklGeometry *geometry;
135 HklSample *sample;
136 HklSampleReflection *ref;
138 factory = hkl_factory_get_by_name("E4CV", NULL);
139 geometry = hkl_factory_create_new_geometry(factory);
141 detector = hkl_detector_factory_new(HKL_DETECTOR_TYPE_0D);
143 sample = hkl_sample_new("test");
145 ref = hkl_sample_reflection_new(geometry, detector, 1, 0, 0, NULL);
146 hkl_sample_add_reflection(sample, ref);
147 ok(hkl_sample_n_reflections_get(sample) == 1, __func__);
148 hkl_sample_del_reflection(sample, ref);
149 ok(hkl_sample_n_reflections_get(sample) == 0, __func__);
150 ok (NULL == hkl_sample_reflections_first_get(sample), __func__);
152 hkl_sample_free(sample);
153 hkl_detector_free(detector);
154 hkl_geometry_free(geometry);
157 static void set_ux_uy_uz(void)
159 HklSample *sample;
161 sample = hkl_sample_new("test");
163 SET_UX_UY_UZ(sample, 1 * HKL_DEGTORAD, 2 * HKL_DEGTORAD, 3 * HKL_DEGTORAD);
164 CHECK_UX_UY_UZ(sample, 1 * HKL_DEGTORAD, 2 * HKL_DEGTORAD, 3 * HKL_DEGTORAD);
166 hkl_sample_free(sample);
169 static void set_UB(void)
171 GError *error;
172 HklSample *sample;
173 const HklMatrix *_UB;
174 HklMatrix *UB = hkl_matrix_new_full(HKL_TAU/1.54, 0., 0.,
175 0., 0., HKL_TAU/1.54,
176 0., -HKL_TAU/1.54, 0.);
177 HklMatrix *U = hkl_matrix_new_full(1., 0., 0.,
178 0., 0., 1.,
179 0.,-1., 0.);
181 HklMatrix *UB_wrong = hkl_matrix_new_full(0., 0., 0.,
182 0., 0., 0.,
183 0., 0., 0.);
185 sample = hkl_sample_new("test");
187 /* check that reading and writing the current UB works */
188 _UB = hkl_sample_UB_get(sample);
189 ok(TRUE == hkl_sample_UB_set(sample, _UB, NULL), __func__);
190 error = NULL;
191 ok(TRUE == hkl_sample_UB_set(sample, _UB, &error), __func__);
192 ok(error == NULL, __func__);
194 CHECK_UX_UY_UZ(sample, 0., 0., 0.);
196 /* set a new valid UB matrix */
197 error = NULL;
198 ok(TRUE == hkl_sample_UB_set(sample, UB, NULL), __func__);
199 ok(TRUE == hkl_sample_UB_set(sample, UB, &error), __func__);
200 ok(error == NULL, __func__);
201 is_matrix(U, hkl_sample_U_get(sample), __func__);
203 CHECK_UX_UY_UZ(sample, -90. * HKL_DEGTORAD, 0., 0.);
205 /* set a non-valid UB matrix */
206 error = NULL;
207 ok(FALSE == hkl_sample_UB_set(sample, UB_wrong, &error), __func__);
208 ok(error != NULL, __func__);
209 g_clear_error(&error);
210 is_matrix(U, hkl_sample_U_get(sample), __func__);
212 hkl_sample_free(sample);
213 hkl_matrix_free(UB_wrong);
214 hkl_matrix_free(U);
215 hkl_matrix_free(UB);
218 static void compute_UB_busing_levy(void)
220 GError *error;
221 HklDetector *detector;
222 const HklFactory *factory;
223 HklGeometry *geometry;
224 HklSample *sample;
225 HklSampleReflection *r0, *r1, *r2, *r3;
226 HklMatrix *m_I = hkl_matrix_new_full(1,0,0,
227 0,1,0,
228 0, 0, 1);
229 HklMatrix *m_ref = hkl_matrix_new_full(1., 0., 0.,
230 0., 0., 1.,
231 0.,-1., 0.);
233 factory = hkl_factory_get_by_name("E4CV", NULL);
234 geometry = hkl_factory_create_new_geometry(factory);
236 detector = hkl_detector_factory_new(HKL_DETECTOR_TYPE_0D);
238 sample = hkl_sample_new("test");
240 /* first test */
241 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., 0., 60.), __func__);
242 r0 = hkl_sample_reflection_new(geometry, detector, 0, 0, 1, NULL);
243 hkl_sample_add_reflection(sample, r0);
245 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., -90., 60.), __func__);
246 r1 = hkl_sample_reflection_new(geometry, detector, -1, 0, 0, NULL);
247 hkl_sample_add_reflection(sample, r1);
249 ok(TRUE == hkl_sample_compute_UB_busing_levy(sample, r0, r1, NULL), __func__);
250 is_matrix(m_I, hkl_sample_U_get(sample), __func__);
252 error = NULL;
253 ok(TRUE == hkl_sample_compute_UB_busing_levy(sample, r0, r1, &error), __func__);
254 ok(error == NULL, __func__);
255 is_matrix(m_I, hkl_sample_U_get(sample), __func__);
257 CHECK_UX_UY_UZ(sample, 0., 0., 0.);
259 /* second test */
260 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., 90., 60.), __func__);
261 r2 = hkl_sample_reflection_new(geometry, detector, 1, 0, 0, NULL);
262 hkl_sample_add_reflection(sample, r2);
264 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., 180., 60.), __func__);
265 r3 = hkl_sample_reflection_new(geometry, detector, 0, 1, 0, NULL);
266 hkl_sample_add_reflection(sample, r3);
268 ok(TRUE == hkl_sample_compute_UB_busing_levy(sample, r2, r3, NULL), __func__);
269 is_matrix(m_ref, hkl_sample_U_get(sample), __func__);
271 error = NULL;
272 ok(TRUE == hkl_sample_compute_UB_busing_levy(sample, r2, r3, &error), __func__);
273 ok(error == NULL, __func__);
274 is_matrix(m_ref, hkl_sample_U_get(sample), __func__);
276 CHECK_UX_UY_UZ(sample, -90. * HKL_DEGTORAD, 0., 0.);
278 /* failling test */
279 ok(FALSE == hkl_sample_compute_UB_busing_levy(sample, r0, r0, NULL), __func__);
281 error = NULL;
282 ok(FALSE == hkl_sample_compute_UB_busing_levy(sample, r0, r0, &error), __func__);
283 ok(error != NULL, __func__);
284 g_clear_error(&error);
285 is_matrix(m_ref, hkl_sample_U_get(sample), __func__);
287 hkl_sample_free(sample);
288 hkl_detector_free(detector);
289 hkl_geometry_free(geometry);
290 hkl_matrix_free(m_ref);
291 hkl_matrix_free(m_I);
294 static void affine(void)
296 GError *error;
297 double a, b, c, alpha, beta, gamma;
298 const HklFactory *factory;
299 HklDetector *detector;
300 HklGeometry *geometry;
301 HklSample *sample;
302 HklLattice *lattice;
303 HklSampleReflection *ref;
304 HklMatrix *m_ref = hkl_matrix_new_full(1., 0., 0.,
305 0., 1., 0.,
306 0., 0., 1.);
308 factory = hkl_factory_get_by_name("E4CV", NULL);
309 geometry = hkl_factory_create_new_geometry(factory);
311 detector = hkl_detector_factory_new(HKL_DETECTOR_TYPE_0D);
313 sample = hkl_sample_new("test");
314 lattice = hkl_lattice_new(1, 5, 4,
315 92 * HKL_DEGTORAD,
316 81 * HKL_DEGTORAD,
317 90 * HKL_DEGTORAD,
318 NULL);
319 hkl_sample_lattice_set(sample, lattice);
320 hkl_lattice_free(lattice);
322 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., 90., 60.), __func__);
323 ref = hkl_sample_reflection_new(geometry, detector, 1, 0, 0, NULL);
324 hkl_sample_add_reflection(sample, ref);
326 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 90., 0., 60.), __func__);
327 ref = hkl_sample_reflection_new(geometry, detector, 0, 1, 0, NULL);
328 hkl_sample_add_reflection(sample, ref);
330 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., 0., 60.), __func__);
331 ref = hkl_sample_reflection_new(geometry, detector, 0, 0, 1, NULL);
332 hkl_sample_add_reflection(sample, ref);
334 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 60., 60., 60., 60.), __func__);
335 ref = hkl_sample_reflection_new(geometry, detector, .625, .75, -.216506350946, NULL);
336 hkl_sample_add_reflection(sample, ref);
338 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 45., 45., 45., 60.), __func__);
339 ref = hkl_sample_reflection_new(geometry, detector, .665975615037, .683012701892, .299950211252, NULL);
340 hkl_sample_add_reflection(sample, ref);
343 ok(TRUE == hkl_sample_affine(sample, NULL), __func__);
345 error = NULL;
346 ok(TRUE == hkl_sample_affine(sample, &error), __func__);
347 ok(error == NULL, __func__);
349 hkl_lattice_get(hkl_sample_lattice_get(sample),
350 &a, &b, &c, &alpha, &beta, &gamma, HKL_UNIT_DEFAULT);
352 is_matrix(m_ref, hkl_sample_U_get(sample), __func__);
353 is_double(1.54, a, HKL_EPSILON, __func__);
354 is_double(1.54, b, HKL_EPSILON, __func__);
355 is_double(1.54, c, HKL_EPSILON, __func__);
356 is_double(90 * HKL_DEGTORAD, alpha, HKL_EPSILON, __func__);
357 is_double(90 * HKL_DEGTORAD, beta, HKL_EPSILON, __func__);
358 is_double(90 * HKL_DEGTORAD, gamma, HKL_EPSILON, __func__);
359 CHECK_UX_UY_UZ(sample, 0., 0., 0.);
361 hkl_sample_free(sample);
362 hkl_detector_free(detector);
363 hkl_geometry_free(geometry);
364 hkl_matrix_free(m_ref);
367 static void get_reflections_xxx_angle(void)
369 HklDetector *detector;
370 const HklFactory *factory;
371 HklGeometry *geometry;
372 HklSample *sample;
373 HklLattice *lattice;
374 HklSampleReflection *r0, *r1, *r2, *r3, *r4;
376 factory = hkl_factory_get_by_name("E4CV", NULL);
377 geometry = hkl_factory_create_new_geometry(factory);
379 detector = hkl_detector_factory_new(HKL_DETECTOR_TYPE_0D);
381 sample = hkl_sample_new("test");
382 lattice = hkl_lattice_new(1.54, 1.54, 1.54,
383 90*HKL_DEGTORAD, 90*HKL_DEGTORAD,90*HKL_DEGTORAD,
384 NULL);
385 hkl_sample_lattice_set(sample, lattice);
386 hkl_lattice_free(lattice);
388 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., 90., 60.), __func__);
389 r0 = hkl_sample_reflection_new(geometry, detector, 1, 0, 0, NULL);
390 hkl_sample_add_reflection(sample, r0);
392 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 90., 0., 60.), __func__);
393 r1 = hkl_sample_reflection_new(geometry, detector, 0, 1, 0, NULL);
394 hkl_sample_add_reflection(sample, r1);
396 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., 0., 60.), __func__);
397 r2 = hkl_sample_reflection_new(geometry, detector, 0, 0, 1, NULL);
398 hkl_sample_add_reflection(sample, r2);
400 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 60., 60., 60., 60.), __func__);
401 r3 = hkl_sample_reflection_new(geometry, detector, .625, .75, -.216506350946, NULL);
402 hkl_sample_add_reflection(sample, r3);
404 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 45., 45., 45., 60.), __func__);
405 r4 = hkl_sample_reflection_new(geometry, detector, .665975615037, .683012701892, .299950211252, NULL);
406 hkl_sample_add_reflection(sample, r4);
408 is_double(90 * HKL_DEGTORAD,
409 hkl_sample_get_reflection_theoretical_angle(sample, r0, r1),
410 HKL_EPSILON, __func__);
412 is_double(90 * HKL_DEGTORAD,
413 hkl_sample_get_reflection_measured_angle(sample, r0, r1),
414 HKL_EPSILON, __func__);
416 is_double(90 * HKL_DEGTORAD,
417 hkl_sample_get_reflection_theoretical_angle(sample, r1, r2),
418 HKL_EPSILON, __func__);
420 is_double(90 * HKL_DEGTORAD,
421 hkl_sample_get_reflection_measured_angle(sample, r1, r2),
422 HKL_EPSILON, __func__);
424 hkl_sample_free(sample);
425 hkl_detector_free(detector);
426 hkl_geometry_free(geometry);
429 static void reflection_set_geometry(void)
431 double a, b, c, alpha, beta, gamma;
432 HklDetector *detector;
433 const HklFactory *factory;
434 HklGeometry *geometry;
435 HklSample *sample;
436 HklLattice *lattice;
437 HklSampleReflection *ref;
438 HklMatrix *m_ref = hkl_matrix_new_full(1., 0., 0.,
439 0., 1., 0.,
440 0., 0., 1.);
442 factory = hkl_factory_get_by_name("E4CV", NULL);
443 geometry = hkl_factory_create_new_geometry(factory);
445 detector = hkl_detector_factory_new(HKL_DETECTOR_TYPE_0D);
447 sample = hkl_sample_new("test");
448 lattice = hkl_lattice_new(1.54, 1.54, 1.54,
449 90*HKL_DEGTORAD, 90*HKL_DEGTORAD,90*HKL_DEGTORAD,
450 NULL);
451 hkl_sample_lattice_set(sample, lattice);
452 hkl_lattice_free(lattice);
454 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., 90., 60.), __func__);
455 ref = hkl_sample_reflection_new(geometry, detector, 1, 0, 0, NULL);
456 hkl_sample_add_reflection(sample, ref);
458 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 90., 0., 60.), __func__);
459 ref = hkl_sample_reflection_new(geometry, detector, 0, 1, 0, NULL);
460 hkl_sample_add_reflection(sample, ref);
462 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 30., 0., 0., 60.), __func__);
463 ref = hkl_sample_reflection_new(geometry, detector, 0, 0, 1, NULL);
464 hkl_sample_add_reflection(sample, ref);
466 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 60., 60., 60., 60.), __func__);
467 ref = hkl_sample_reflection_new(geometry, detector, .625, .75, -.216506350946, NULL);
468 hkl_sample_add_reflection(sample, ref);
470 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 46., 45., 45., 60.), __func__);
471 ref = hkl_sample_reflection_new(geometry, detector, .665975615037, .683012701892, .299950211252, NULL);
472 hkl_sample_add_reflection(sample, ref);
474 /* correct the last reflection so the sample affinement must be ok. */
475 ok(TRUE == hkl_geometry_set_values_v(geometry, HKL_UNIT_USER, NULL, 45., 45., 45., 60.), __func__);
476 hkl_sample_reflection_geometry_set(ref, geometry);
478 ok(TRUE == hkl_sample_affine(sample, NULL), __func__);
479 hkl_lattice_get(hkl_sample_lattice_get(sample),
480 &a, &b, &c, &alpha, &beta, &gamma,
481 HKL_UNIT_DEFAULT);
483 is_matrix(m_ref, hkl_sample_U_get(sample), __func__);
484 is_double(1.54, a, HKL_EPSILON, __func__);
485 is_double(1.54, b, HKL_EPSILON, __func__);
486 is_double(1.54, c, HKL_EPSILON, __func__);
487 is_double(90 * HKL_DEGTORAD, alpha, HKL_EPSILON, __func__);
488 is_double(90 * HKL_DEGTORAD, beta, HKL_EPSILON, __func__);
489 is_double(90 * HKL_DEGTORAD, gamma, HKL_EPSILON, __func__);
490 CHECK_UX_UY_UZ(sample, 0., 0., 0.);
492 hkl_sample_free(sample);
493 hkl_detector_free(detector);
494 hkl_geometry_free(geometry);
495 hkl_matrix_free(m_ref);
498 int main(void)
500 plan(114);
502 new();
503 add_reflection();
504 get_reflection();
505 del_reflection();
506 set_ux_uy_uz();
507 set_UB();
508 compute_UB_busing_levy();
509 affine();
510 get_reflections_xxx_angle();
512 reflection_set_geometry();
514 return 0;