test/hkl-test-sample.c

   1 #include <math.h>
   2
   3 #include <hkl/hkl-sample.h>
   4 #include <hkl/hkl-geometry-factory.h>
   5
   6 #include "hkl-test.h"
   7
   8 #ifdef HKL_TEST_SUITE_NAME
   9 # undef HKL_TEST_SUITE_NAME
  10 #endif
  11 #define HKL_TEST_SUITE_NAME sample
  12
  13 #define SET_ANGLES(a, b, c, d)                                  \
  14         do {                                                    \
  15                 HklParameter *Omega, *Chi, *Phi, *Tth;          \
  16                                                                 \
  17                 Omega = (HklParameter *)(&geom->axes[0]);               \
  18                 Chi = (HklParameter *)(&geom->axes[1]);                 \
  19                 Phi = (HklParameter *)(&geom->axes[2]);                 \
  20                 Tth = (HklParameter *)(&geom->axes[3]);                 \
  21                                                                         \
  22                 hkl_parameter_set_value(Omega, a * HKL_DEGTORAD);       \
  23                 hkl_parameter_set_value(Chi, b * HKL_DEGTORAD);         \
  24                 hkl_parameter_set_value(Phi, c * HKL_DEGTORAD);         \
  25                 hkl_parameter_set_value(Tth, d * HKL_DEGTORAD);         \
  26         }while(0)
  27
  28 HKL_TEST_SUITE_FUNC(new)
  29 {
  30         HklSample *sample;
  31
  32         sample = hkl_sample_new("test", HKL_SAMPLE_MONOCRYSTAL);
  33
  34         hkl_sample_free(sample);
  35
  36         return HKL_TEST_PASS;
  37 }
  38
  39 HKL_TEST_SUITE_FUNC(add_reflection)
  40 {
  41         HklDetector det = {1};
  42         HklGeometry *geom;
  43         HklSample *sample;
  44         HklSampleReflection *ref;
  45
  46         geom = hkl_geometry_factory_new(HKL_GEOMETRY_EULERIAN4C_VERTICAL);
  47         sample = hkl_sample_new("test", HKL_SAMPLE_MONOCRYSTAL);
  48
  49         ref = hkl_sample_add_reflection(sample, geom, &det, 1, 0, 0);
  50
  51         hkl_sample_free(sample);
  52         hkl_geometry_free(geom);
  53
  54         return HKL_TEST_PASS;
  55 }
  56
  57 HKL_TEST_SUITE_FUNC(get_reflection)
  58 {
  59         HklDetector det = {1};
  60         HklGeometry *geom;
  61         HklSample *sample;
  62         HklSampleReflection *ref;
  63         HklSampleReflection *ref2;
  64
  65         geom = hkl_geometry_factory_new(HKL_GEOMETRY_EULERIAN4C_VERTICAL);
  66         sample = hkl_sample_new("test", HKL_SAMPLE_MONOCRYSTAL);
  67
  68         ref = hkl_sample_add_reflection(sample, geom, &det, 1, 0, 0);
  69         ref2 = hkl_sample_get_ith_reflection(sample, 0);
  70         HKL_ASSERT_POINTER_EQUAL(ref, ref2);
  71
  72         ref = hkl_sample_add_reflection(sample, geom, &det, -1, 0, 0);
  73         ref = hkl_sample_add_reflection(sample, geom, &det, 0, 1, 0);
  74
  75         hkl_sample_free(sample);
  76         hkl_geometry_free(geom);
  77
  78         return HKL_TEST_PASS;
  79 }
  80
  81 HKL_TEST_SUITE_FUNC(del_reflection)
  82 {
  83         HklDetector det = {1};
  84         HklGeometry *geom;
  85         HklSample *sample;
  86         HklSampleReflection *ref;
  87
  88         geom = hkl_geometry_factory_new(HKL_GEOMETRY_EULERIAN4C_VERTICAL);
  89         sample = hkl_sample_new("test", HKL_SAMPLE_MONOCRYSTAL);
  90
  91         ref = hkl_sample_add_reflection(sample, geom, &det, 1, 0, 0);
  92         hkl_sample_del_reflection(sample, 0);
  93         HKL_ASSERT_EQUAL(0, HKL_LIST_LEN(sample->reflections));
  94
  95         hkl_sample_free(sample);
  96         hkl_geometry_free(geom);
  97
  98         return HKL_TEST_PASS;
  99 }
 100
 101 HKL_TEST_SUITE_FUNC(compute_UB_busing_levy)
 102 {
 103         HklDetector det = {1};
 104         HklGeometry *geom;
 105         HklSample *sample;
 106         HklSampleReflection *ref;
 107         HklMatrix m_I = {{{1,0,0}, {0,1,0}, {0, 0, 1}}};
 108         HklMatrix m_ref = {{{1., 0., 0.}, {0., 0., 1.}, {0.,-1., 0.}}};
 109
 110         geom = hkl_geometry_factory_new(HKL_GEOMETRY_EULERIAN4C_VERTICAL);
 111
 112         sample = hkl_sample_new("test", HKL_SAMPLE_MONOCRYSTAL);
 113
 114         SET_ANGLES(30, 0, 0, 60);
 115         ref = hkl_sample_add_reflection(sample, geom, &det, 0, 0, 1);
 116
 117         SET_ANGLES(30, 0, -90, 60);
 118         ref = hkl_sample_add_reflection(sample, geom, &det, -1, 0, 0);
 119
 120         hkl_sample_compute_UB_busing_levy(sample, 0, 1);
 121         HKL_ASSERT_EQUAL(HKL_TRUE, hkl_matrix_cmp(&m_I, &sample->U));
 122
 123         SET_ANGLES(30, 0, 90, 60);
 124         ref = hkl_sample_add_reflection(sample, geom, &det, 1, 0, 0);
 125
 126         SET_ANGLES(30, 0, 180, 60);
 127         ref = hkl_sample_add_reflection(sample, geom, &det, 0, 1, 0);
 128
 129         hkl_sample_compute_UB_busing_levy(sample, 2, 3);
 130         HKL_ASSERT_EQUAL(HKL_TRUE, hkl_matrix_cmp(&m_ref, &sample->U));
 131
 132         hkl_sample_free(sample);
 133         hkl_geometry_free(geom);
 134
 135         return HKL_TEST_PASS;
 136 }
 137
 138 HKL_TEST_SUITE_FUNC(affine)
 139 {
 140         double a, b, c, alpha, beta, gamma;
 141         HklDetector det = {1};
 142         HklGeometry *geom;
 143         HklSample *sample;
 144         HklSampleReflection *ref;
 145         HklMatrix m_ref = {{{1., 0., 0.}, {0., 1., 0.}, {0., 0., 1.}}};
 146
 147         geom = hkl_geometry_factory_new(HKL_GEOMETRY_EULERIAN4C_VERTICAL);
 148
 149         sample = hkl_sample_new("test", HKL_SAMPLE_MONOCRYSTAL);
 150         sample->lattice->a->value = 1;
 151         sample->lattice->b->value = 5;
 152         sample->lattice->c->value = 4;
 153         sample->lattice->alpha->value = 92 * HKL_DEGTORAD;
 154         sample->lattice->beta->value = 81 * HKL_DEGTORAD;
 155         sample->lattice->gamma->value = 90 * HKL_DEGTORAD;
 156
 157         SET_ANGLES(30, 0, 90, 60);
 158         ref = hkl_sample_add_reflection(sample, geom, &det, 1, 0, 0);
 159
 160         SET_ANGLES(30, 90, 0, 60);
 161         ref = hkl_sample_add_reflection(sample, geom, &det, 0, 1, 0);
 162
 163         SET_ANGLES(30, 0, 0, 60);
 164         ref = hkl_sample_add_reflection(sample, geom, &det, 0, 0, 1);
 165
 166         SET_ANGLES(60, 60, 60, 60);
 167         ref = hkl_sample_add_reflection(sample, geom, &det, .625, .75, -.216506350946);
 168
 169         SET_ANGLES(45, 45, 45, 60);
 170         ref = hkl_sample_add_reflection(sample, geom, &det, .665975615037, .683012701892, .299950211252);
 171
 172         hkl_sample_affine(sample);
 173
 174         a = sample->lattice->a->value;
 175         b = sample->lattice->b->value;
 176         c = sample->lattice->c->value;
 177         alpha = sample->lattice->alpha->value;
 178         beta = sample->lattice->beta->value;
 179         gamma = sample->lattice->gamma->value;
 180         HKL_ASSERT_EQUAL(HKL_TRUE, hkl_matrix_cmp(&m_ref, &sample->U));
 181         HKL_ASSERT_DOUBLES_EQUAL(1.54, a, HKL_EPSILON);
 182         HKL_ASSERT_DOUBLES_EQUAL(1.54, b, HKL_EPSILON);
 183         HKL_ASSERT_DOUBLES_EQUAL(1.54, c, HKL_EPSILON);
 184         HKL_ASSERT_DOUBLES_EQUAL(90 * HKL_DEGTORAD, alpha, HKL_EPSILON);
 185         HKL_ASSERT_DOUBLES_EQUAL(90 * HKL_DEGTORAD, beta, HKL_EPSILON);
 186         HKL_ASSERT_DOUBLES_EQUAL(90 * HKL_DEGTORAD, gamma, HKL_EPSILON);
 187
 188         hkl_sample_free(sample);
 189         hkl_geometry_free(geom);
 190
 191         return HKL_TEST_PASS;
 192 }
 193
 194 HKL_TEST_SUITE_FUNC(get_reflections_xxx_angle)
 195 {
 196         HklDetector det = {1};
 197         HklGeometry *geom;
 198         HklSample *sample;
 199         HklSampleReflection *ref;
 200
 201         geom = hkl_geometry_factory_new(HKL_GEOMETRY_EULERIAN4C_VERTICAL);
 202
 203         sample = hkl_sample_new("test", HKL_SAMPLE_MONOCRYSTAL);
 204         hkl_sample_set_lattice(sample,
 205                                1.54, 1.54, 1.54,
 206                                90*HKL_DEGTORAD, 90*HKL_DEGTORAD,90*HKL_DEGTORAD);
 207
 208         SET_ANGLES(30, 0, 90, 60);
 209         ref = hkl_sample_add_reflection(sample, geom, &det, 1, 0, 0);
 210
 211         SET_ANGLES(30, 90, 0, 60);
 212         ref = hkl_sample_add_reflection(sample, geom, &det, 0, 1, 0);
 213
 214         SET_ANGLES(30, 0, 0, 60);
 215         ref = hkl_sample_add_reflection(sample, geom, &det, 0, 0, 1);
 216
 217         SET_ANGLES(60, 60, 60, 60);
 218         ref = hkl_sample_add_reflection(sample, geom, &det, .625, .75, -.216506350946);
 219
 220         SET_ANGLES(45, 45, 45, 60);
 221         ref = hkl_sample_add_reflection(sample, geom, &det, .665975615037, .683012701892, .299950211252);
 222
 223         HKL_ASSERT_DOUBLES_EQUAL(90 * HKL_DEGTORAD,
 224                                  hkl_sample_get_reflection_theoretical_angle(sample, 0, 1),
 225                                  HKL_EPSILON);
 226
 227         HKL_ASSERT_DOUBLES_EQUAL(90 * HKL_DEGTORAD,
 228                                  hkl_sample_get_reflection_mesured_angle(sample, 0, 1),
 229                                  HKL_EPSILON);
 230
 231         HKL_ASSERT_DOUBLES_EQUAL(90 * HKL_DEGTORAD,
 232                                  hkl_sample_get_reflection_theoretical_angle(sample, 1, 2),
 233                                  HKL_EPSILON);
 234
 235         HKL_ASSERT_DOUBLES_EQUAL(90 * HKL_DEGTORAD,
 236                                  hkl_sample_get_reflection_mesured_angle(sample, 1, 2),
 237                                  HKL_EPSILON);
 238
 239         hkl_sample_free(sample);
 240         hkl_geometry_free(geom);
 241
 242         return HKL_TEST_PASS;
 243 }
 244
 245 HKL_TEST_SUITE_FUNC(list_new)
 246 {
 247         HklSampleList *samples;
 248
 249         samples = hkl_sample_list_new();
 250
 251         hkl_sample_list_free(samples);
 252
 253         return HKL_TEST_PASS;
 254 }
 255
 256 HKL_TEST_SUITE_FUNC(list_append_sample)
 257 {
 258         HklSampleList *samples;
 259         HklSample *sample1;
 260         HklSample *sample2;
 261
 262         samples = hkl_sample_list_new();
 263         sample1 = hkl_sample_new("test1", HKL_SAMPLE_MONOCRYSTAL);
 264         sample2 = hkl_sample_new("test2", HKL_SAMPLE_MONOCRYSTAL);
 265
 266         HKL_ASSERT_POINTER_EQUAL(sample1, hkl_sample_list_append(samples, sample1));
 267         HKL_ASSERT_EQUAL(0, hkl_sample_list_get_idx_from_name(samples, "test1"));
 268
 269         HKL_ASSERT_POINTER_EQUAL(sample2, hkl_sample_list_append(samples, sample2));
 270         HKL_ASSERT_EQUAL(0, hkl_sample_list_get_idx_from_name(samples, "test1"));
 271         HKL_ASSERT_EQUAL(1, hkl_sample_list_get_idx_from_name(samples, "test2"));
 272
 273         // can not have two samples with the same name.
 274         HKL_ASSERT_POINTER_EQUAL(NULL, hkl_sample_list_append(samples, sample1));
 275
 276         hkl_sample_list_free(samples); // also relase sample1 and sample2
 277
 278         return HKL_TEST_PASS;
 279 }
 280
 281 HKL_TEST_SUITE_FUNC(list_select_current)
 282 {
 283         HklSampleList *samples;
 284         HklSample *sample;
 285
 286         samples = hkl_sample_list_new();
 287         sample = hkl_sample_new("test", HKL_SAMPLE_MONOCRYSTAL);
 288
 289         hkl_sample_list_append(samples, sample);
 290
 291         HKL_ASSERT_EQUAL(HKL_SUCCESS, hkl_sample_list_select_current(samples, "test"));
 292         HKL_ASSERT_EQUAL(HKL_FAIL, hkl_sample_list_select_current(samples, "tests"));
 293
 294
 295         hkl_sample_list_free(samples); // also release sample
 296
 297         return HKL_TEST_PASS;
 298 }
 299
 300 HKL_TEST_SUITE_BEGIN
 301
 302 HKL_TEST( new );
 303 HKL_TEST( add_reflection );
 304 HKL_TEST( get_reflection );
 305 HKL_TEST( del_reflection );
 306 HKL_TEST( compute_UB_busing_levy );
 307 HKL_TEST( affine );
 308 HKL_TEST( get_reflections_xxx_angle );
 309
 310 HKL_TEST( list_new );
 311 HKL_TEST( list_append_sample );
 312 HKL_TEST( list_select_current );
 313
 314 HKL_TEST_SUITE_END
 315
 316 #undef SET_ANGLES