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) 2003-2013 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>
25 #include <math.h> // for M_PI
26 #include <stddef.h> // for size_t
27 #include <stdio.h> // for FILE
28 #include <hkl/ccan/darray/darray.h> // for darray
30 /* Guard C code in headers, while including them from C++ */
32 # define HKL_BEGIN_DECLS extern "C" {
33 # define HKL_END_DECLS }
35 # define HKL_BEGIN_DECLS
36 # define HKL_END_DECLS
40 #if __GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 1)
41 # define HKL_DEPRECATED __attribute__((__deprecated__))
42 #elif defined(_MSC_VER) && (_MSC_VER >= 1300)
43 # define HKL_DEPRECATED __declspec(deprecated)
45 # define HKL_DEPRECATED
48 #if __GNUC__ > 4 || (__GNUC__ == 4 && __GNUC_MINOR__ >= 5)
49 # define HKL_DEPRECATED_FOR(f) __attribute__((__deprecated__("Use '" #f "' instead")))
50 #elif defined(_MSC_FULL_VER) && (_MSC_FULL_VER > 140050320)
51 # define HKL_DEPRECATED_FOR(f) __declspec(deprecated("is deprecated. Use '" #f "' instead"))
53 # define HKL_DEPRECATED_FOR(f) HKL_DEPRECATED
60 #define HKL_EPSILON 1e-6
61 #define HKL_DEGTORAD (M_PI/180.)
62 #define HKL_RADTODEG (180./M_PI)
65 #define HKL_TAU (2. * M_PI)
66 /* #define HKL_TAU 1 */
74 # define HKLAPI __attribute__ ((visibility("default")))
81 * @brief Used to export functions(by changing visibility).
86 #if (__GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 3))
87 # define HKL_ARG_NONNULL(...) __attribute__ ((__nonnull__(__VA_ARGS__)))
89 # define HKL_ARG_NONNULL(...)
92 #define _darray(type) type *item; size_t size; size_t alloc
100 typedef struct _HklMatrix HklMatrix
;
102 HKLAPI HklMatrix
*hkl_matrix_new(void);
104 HKLAPI HklMatrix
*hkl_matrix_new_full(double m11
, double m12
, double m13
,
105 double m21
, double m22
, double m23
,
106 double m31
, double m32
, double m33
);
108 HKLAPI HklMatrix
*hkl_matrix_new_euler(double euler_x
, double euler_y
, double euler_z
);
110 HKLAPI
double hkl_matrix_get(const HklMatrix
*self
, unsigned int i
, unsigned int j
) HKL_ARG_NONNULL(1);
112 HKLAPI
void hkl_matrix_free(HklMatrix
*self
) HKL_ARG_NONNULL(1);
114 HKLAPI
void hkl_matrix_init(HklMatrix
*self
,
115 double m11
, double m12
, double m13
,
116 double m21
, double m22
, double m23
,
117 double m31
, double m32
, double m33
) HKL_ARG_NONNULL(1);
119 HKLAPI
int hkl_matrix_cmp(const HklMatrix
*self
, const HklMatrix
*m
) HKL_ARG_NONNULL(1, 2);
121 HKLAPI
void hkl_matrix_times_matrix(HklMatrix
*self
, const HklMatrix
*m
) HKL_ARG_NONNULL(1, 2);
127 typedef struct _HklError HklError
;
129 HKLAPI
const char *hkl_error_message_get(const HklError
*self
) HKL_ARG_NONNULL(1);
135 typedef struct _HklParameter HklParameter
;
136 typedef struct _HklParameterList HklParameterList
;
137 typedef HklParameterList darray_parameter
;
141 HKLAPI HklParameter
*hkl_parameter_new_copy(const HklParameter
*self
) HKL_ARG_NONNULL(1);
143 HKLAPI
void hkl_parameter_free(HklParameter
*self
) HKL_ARG_NONNULL(1);
145 HKLAPI
const char *hkl_parameter_name_get(const HklParameter
*self
) HKL_ARG_NONNULL(1);
147 HKLAPI
double hkl_parameter_value_get(const HklParameter
*self
) HKL_ARG_NONNULL(1);
149 HKLAPI
int hkl_parameter_value_set(HklParameter
*self
, double value
,
150 HklError
**error
) HKL_ARG_NONNULL(1);
152 HKLAPI
double hkl_parameter_value_unit_get(const HklParameter
*self
) HKL_ARG_NONNULL(1);
154 HKLAPI
int hkl_parameter_value_unit_set(HklParameter
*self
, double value
,
155 HklError
**error
) HKL_ARG_NONNULL(1);
157 HKLAPI
void hkl_parameter_min_max_get(const HklParameter
*self
, double *min
, double *max
) HKL_ARG_NONNULL(1, 2, 3);
159 HKLAPI
void hkl_parameter_min_max_set(HklParameter
*self
, double min
, double max
) HKL_ARG_NONNULL(1);
161 HKLAPI
void hkl_parameter_min_max_unit_get(const HklParameter
*self
, double *min
, double *max
) HKL_ARG_NONNULL(1, 2, 3);
163 HKLAPI
void hkl_parameter_min_max_unit_set(HklParameter
*self
, double min
, double max
) HKL_ARG_NONNULL(1);
165 HKLAPI
int hkl_parameter_fit_get(const HklParameter
*self
) HKL_ARG_NONNULL(1);
167 HKLAPI
void hkl_parameter_fit_set(HklParameter
*self
, int fit
) HKL_ARG_NONNULL(1);
169 HKLAPI
void hkl_parameter_randomize(HklParameter
*self
) HKL_ARG_NONNULL(1);
171 /* HklParameterList */
173 struct _HklParameterList
{
174 _darray(HklParameter
*);
177 HKLAPI
unsigned int hkl_parameter_list_values_set(HklParameterList
*self
,
178 double values
[], unsigned int len
,
179 HklError
**error
) HKL_ARG_NONNULL(1);
181 HKLAPI
double *hkl_parameter_list_values_unit_get(const HklParameterList
*self
,
182 unsigned int *len
) HKL_ARG_NONNULL(1, 2);
184 /* only use in the test method for now */
185 HKLAPI
void hkl_parameter_list_randomize(HklParameterList
*self
) HKL_ARG_NONNULL(1);
191 typedef struct _HklDetector HklDetector
;
192 typedef enum _HklDetectorType
197 HKLAPI
void hkl_detector_free(HklDetector
*self
) HKL_ARG_NONNULL(1);
199 HKLAPI
void hkl_detector_idx_set(HklDetector
*self
, int idx
) HKL_ARG_NONNULL(1);
201 HKLAPI
void hkl_detector_fprintf(FILE *f
, const HklDetector
*self
) HKL_ARG_NONNULL(1, 2);
203 HKLAPI HklDetector
*hkl_detector_factory_new(HklDetectorType type
);
209 typedef struct _HklGeometry HklGeometry
;
210 typedef struct _HklGeometryList HklGeometryList
;
211 typedef struct _HklGeometryListItem HklGeometryListItem
;
213 typedef darray(HklGeometryListItem
*) darray_item
;
217 HKLAPI
void hkl_geometry_free(HklGeometry
*self
) HKL_ARG_NONNULL(1);
219 HKLAPI
void hkl_geometry_set(HklGeometry
*self
, const HklGeometry
*src
) HKL_ARG_NONNULL(1, 2);
221 HKLAPI
const darray_parameter
*hkl_geometry_axes_get(const HklGeometry
*self
) HKL_ARG_NONNULL(1);
223 HKLAPI
const HklParameter
*hkl_geometry_axis_get(const HklGeometry
*self
, const char *name
) HKL_ARG_NONNULL(1, 2);
225 HKLAPI
void hkl_geometry_axis_set(HklGeometry
*self
, const HklParameter
*axis
) HKL_ARG_NONNULL(1, 2);
227 HKLAPI
const char *hkl_geometry_name_get(const HklGeometry
*self
) HKL_ARG_NONNULL(1);
229 HKLAPI
double hkl_geometry_wavelength_get(const HklGeometry
*self
) HKL_ARG_NONNULL(1);
231 HKLAPI
void hkl_geometry_wavelength_set(HklGeometry
*self
, double wavelength
) HKL_ARG_NONNULL(1);
233 HKLAPI
void hkl_geometry_randomize(HklGeometry
*self
) HKL_ARG_NONNULL(1);
235 HKLAPI
int hkl_geometry_set_values_unit_v(HklGeometry
*self
, ...) HKL_ARG_NONNULL(1);
237 HKLAPI
void hkl_geometry_fprintf(FILE *file
, const HklGeometry
*self
) HKL_ARG_NONNULL(1, 2);
239 /* HklGeometryList */
241 HKLAPI
const darray_item
*hkl_geometry_list_items_get(const HklGeometryList
*self
) HKL_ARG_NONNULL(1);
243 /* HklGeometryListItem */
245 HKLAPI
const HklGeometry
*hkl_geometry_list_item_geometry_get(const HklGeometryListItem
*self
) HKL_ARG_NONNULL(1);
251 typedef struct _HklLattice HklLattice
;
252 typedef struct _HklSample HklSample
;
253 typedef struct _HklSampleReflection HklSampleReflection
;
257 HKLAPI HklLattice
*hkl_lattice_new(double a
, double b
, double c
,
258 double alpha
, double beta
, double gamma
);
260 HKLAPI HklLattice
*hkl_lattice_new_copy(const HklLattice
*self
) HKL_ARG_NONNULL(1);
262 HKLAPI HklLattice
*hkl_lattice_new_default(void);
264 HKLAPI
void hkl_lattice_free(HklLattice
*self
) HKL_ARG_NONNULL(1);
266 HKLAPI
const HklParameter
*hkl_lattice_a_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
268 HKLAPI
void hkl_lattice_a_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
270 HKLAPI
const HklParameter
*hkl_lattice_b_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
272 HKLAPI
void hkl_lattice_b_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
274 HKLAPI
const HklParameter
*hkl_lattice_c_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
276 HKLAPI
void hkl_lattice_c_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
278 HKLAPI
const HklParameter
*hkl_lattice_alpha_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
280 HKLAPI
void hkl_lattice_alpha_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
282 HKLAPI
const HklParameter
*hkl_lattice_beta_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
284 HKLAPI
void hkl_lattice_beta_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
286 HKLAPI
const HklParameter
*hkl_lattice_gamma_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
288 HKLAPI
void hkl_lattice_gamma_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
290 HKLAPI
int hkl_lattice_set(HklLattice
*self
,
291 double a
, double b
, double c
,
292 double alpha
, double beta
, double gamma
) HKL_ARG_NONNULL(1);
294 HKLAPI
void hkl_lattice_get(const HklLattice
*self
,
295 double *a
, double *b
, double *c
,
296 double *alpha
, double *beta
, double *gamma
) HKL_ARG_NONNULL(1, 2, 3, 4, 5, 6, 7);
298 HKLAPI
int hkl_lattice_get_B(const HklLattice
*self
, HklMatrix
*B
) HKL_ARG_NONNULL(1, 2);
300 HKLAPI
int hkl_lattice_get_1_B(const HklLattice
*self
, HklMatrix
*B
) HKL_ARG_NONNULL(1, 2);
302 HKLAPI
int hkl_lattice_reciprocal(const HklLattice
*self
, HklLattice
*reciprocal
) HKL_ARG_NONNULL(1, 2);
306 HKLAPI HklSample
*hkl_sample_new(const char *name
) HKL_ARG_NONNULL(1);
308 HKLAPI HklSample
*hkl_sample_new_copy(const HklSample
*self
) HKL_ARG_NONNULL(1);
310 HKLAPI
void hkl_sample_free(HklSample
*self
) HKL_ARG_NONNULL(1);
312 HKLAPI
const char *hkl_sample_name_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
314 HKLAPI
void hkl_sample_name_set(HklSample
*self
, const char *name
) HKL_ARG_NONNULL(1, 2);
316 HKLAPI
const HklLattice
*hkl_sample_lattice_get(HklSample
*self
) HKL_ARG_NONNULL(1);
318 HKLAPI
void hkl_sample_lattice_set(HklSample
*self
, const HklLattice
*lattice
) HKL_ARG_NONNULL(1, 2);
320 HKLAPI
const HklParameter
*hkl_sample_ux_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
322 HKLAPI
void hkl_sample_ux_set(HklSample
*self
, const HklParameter
*ux
) HKL_ARG_NONNULL(1, 2);
324 HKLAPI
const HklParameter
*hkl_sample_uy_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
326 HKLAPI
void hkl_sample_uy_set(HklSample
*self
, const HklParameter
*uy
) HKL_ARG_NONNULL(1, 2);
328 HKLAPI
const HklParameter
*hkl_sample_uz_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
330 HKLAPI
void hkl_sample_uz_set(HklSample
*self
, const HklParameter
*uz
) HKL_ARG_NONNULL(1, 2);
332 HKLAPI
const HklMatrix
*hkl_sample_U_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
334 HKLAPI
void hkl_sample_U_set(HklSample
*self
, const HklMatrix
*U
) HKL_ARG_NONNULL(1);
336 HKLAPI
const HklMatrix
*hkl_sample_UB_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
338 HKLAPI
double hkl_sample_UB_set(HklSample
*self
, const HklMatrix
*UB
) HKL_ARG_NONNULL(1, 2);
340 HKLAPI HklSampleReflection
*hkl_sample_first_reflection_get(HklSample
*self
) HKL_ARG_NONNULL(1);
342 HKLAPI HklSampleReflection
*hkl_sample_next_reflection_get(HklSample
*self
,
343 HklSampleReflection
*reflection
) HKL_ARG_NONNULL(1, 2);
345 HKLAPI
void hkl_sample_del_reflection(HklSample
*self
,
346 HklSampleReflection
*reflection
) HKL_ARG_NONNULL(1, 2);
348 HKLAPI
void hkl_sample_add_reflection(HklSample
*self
,
349 HklSampleReflection
*reflection
) HKL_ARG_NONNULL(1, 2);
351 HKLAPI
int hkl_sample_compute_UB_busing_levy(HklSample
*self
,
352 const HklSampleReflection
*r1
,
353 const HklSampleReflection
*r2
) HKL_ARG_NONNULL(1, 2, 3);
355 HKLAPI
double hkl_sample_get_reflection_mesured_angle(const HklSample
*self
,
356 const HklSampleReflection
*r1
,
357 const HklSampleReflection
*r2
) HKL_ARG_NONNULL(1, 2, 3);
359 HKLAPI
double hkl_sample_get_reflection_theoretical_angle(const HklSample
*self
,
360 const HklSampleReflection
*r1
,
361 const HklSampleReflection
*r2
) HKL_ARG_NONNULL(1, 2, 3);
363 HKLAPI
double hkl_sample_affine(HklSample
*self
) HKL_ARG_NONNULL(1);
365 /* hklSampleReflection */
367 HKLAPI HklSampleReflection
*hkl_sample_reflection_new(const HklGeometry
*geometry
,
368 const HklDetector
*detector
,
369 double h
, double k
, double l
) HKL_ARG_NONNULL(1, 2);
371 HKLAPI
void hkl_sample_reflection_hkl_get(const HklSampleReflection
*self
,
372 double *h
, double *k
, double *l
) HKL_ARG_NONNULL(1, 2, 3, 4);
374 HKLAPI
void hkl_sample_reflection_hkl_set(HklSampleReflection
*self
,
375 double h
, double k
, double l
) HKL_ARG_NONNULL(1);
377 HKLAPI
int hkl_sample_reflection_flag_get(const HklSampleReflection
*self
) HKL_ARG_NONNULL(1);
379 HKLAPI
void hkl_sample_reflection_flag_set(HklSampleReflection
*self
, int flag
) HKL_ARG_NONNULL(1);
381 HKLAPI
const HklGeometry
*hkl_sample_reflection_geometry_get(HklSampleReflection
*self
) HKL_ARG_NONNULL(1);
383 HKLAPI
void hkl_sample_reflection_geometry_set(HklSampleReflection
*self
,
384 const HklGeometry
*geometry
) HKL_ARG_NONNULL(1, 2);
390 typedef struct _HklPseudoAxis HklPseudoAxis
;
391 typedef struct _HklMode HklMode
;
392 typedef struct _HklEngine HklEngine
;
393 typedef struct _HklEngineList HklEngineList
;
395 typedef darray(HklMode
*) darray_mode
;
396 typedef darray(HklEngine
*) darray_engine
;
400 HKLAPI
const char * hkl_mode_name_get(const HklMode
*self
) HKL_ARG_NONNULL(1);
402 HKLAPI HklParameterList
*hkl_mode_parameters_get(HklMode
*self
) HKL_ARG_NONNULL(1);
404 HKLAPI
void hkl_mode_fprintf(FILE *f
, const HklMode
*self
) HKL_ARG_NONNULL(1, 2);
408 HKLAPI
const char *hkl_engine_name_get(const HklEngine
*self
) HKL_ARG_NONNULL(1);
410 HKLAPI
unsigned int hkl_engine_len(const HklEngine
*self
) HKL_ARG_NONNULL(1);
412 HKLAPI HklParameterList
*hkl_engine_pseudo_axes_get(HklEngine
*self
) HKL_ARG_NONNULL(1);
414 HKLAPI HklMode
*hkl_engine_mode_get(HklEngine
*self
) HKL_ARG_NONNULL(1);
416 HKLAPI darray_mode
*hkl_engine_modes_get(HklEngine
*self
) HKL_ARG_NONNULL(1);
418 HKLAPI HklEngineList
*hkl_engine_engines(HklEngine
*self
) HKL_ARG_NONNULL(1);
420 HKLAPI
void hkl_engine_select_mode(HklEngine
*self
,
421 HklMode
*mode
) HKL_ARG_NONNULL(1, 2);
423 HKLAPI
void hkl_engine_select_mode_by_name(HklEngine
*self
,
424 const char *name
) HKL_ARG_NONNULL(1, 2);
426 HKLAPI
int hkl_engine_initialize(HklEngine
*self
, HklError
**error
) HKL_ARG_NONNULL(1);
428 HKLAPI
int hkl_engine_set(HklEngine
*self
, HklError
**error
) HKL_ARG_NONNULL(1);
430 HKLAPI
int hkl_engine_get(HklEngine
*self
, HklError
**error
) HKL_ARG_NONNULL(1);
432 HKLAPI
void hkl_engine_fprintf(FILE *f
, const HklEngine
*self
) HKL_ARG_NONNULL(1, 2);
436 HKLAPI
void hkl_engine_list_free(HklEngineList
*self
) HKL_ARG_NONNULL(1);
438 HKLAPI darray_engine
*hkl_engine_list_engines(HklEngineList
*self
) HKL_ARG_NONNULL(1);
440 HKLAPI
void hkl_engine_list_geometry_set(HklEngineList
*self
, const HklGeometry
*geometry
) HKL_ARG_NONNULL(1, 2);
442 HKLAPI
const HklGeometryList
*hkl_engine_list_geometries(const HklEngineList
*self
) HKL_ARG_NONNULL(1);
444 HKLAPI HklGeometry
*hkl_engine_list_get_geometry(HklEngineList
*self
) HKL_ARG_NONNULL(1);
446 HKLAPI
void hkl_engine_list_select_solution(HklEngineList
*self
, unsigned int idx
) HKL_ARG_NONNULL(1);
448 HKLAPI HklEngine
*hkl_engine_list_get_by_name(HklEngineList
*self
,
449 const char *name
) HKL_ARG_NONNULL(1, 2);
451 HKLAPI HklParameter
*hkl_engine_list_get_pseudo_axis_by_name(const HklEngineList
*self
,
452 const char *name
) HKL_ARG_NONNULL(1, 2);
454 HKLAPI
void hkl_engine_list_init(HklEngineList
*self
,
455 HklGeometry
*geometry
,
456 HklDetector
*detector
,
457 HklSample
*sample
) HKL_ARG_NONNULL(1, 2, 3, 4);
459 HKLAPI
int hkl_engine_list_get(HklEngineList
*self
) HKL_ARG_NONNULL(1);
461 HKLAPI
void hkl_engine_list_fprintf(FILE *f
,
462 const HklEngineList
*self
) HKL_ARG_NONNULL(1, 2);
468 typedef struct _HklFactory HklFactory
;
470 HKLAPI HklFactory
**hkl_factory_get_all(unsigned int *n
) HKL_ARG_NONNULL(1);
472 HKLAPI HklFactory
*hkl_factory_get_by_name(const char *name
) HKL_ARG_NONNULL(1);
474 HKLAPI
const char *hkl_factory_name(const HklFactory
*self
) HKL_ARG_NONNULL(1);
476 HKLAPI HklGeometry
*hkl_factory_create_new_geometry(const HklFactory
*self
) HKL_ARG_NONNULL(1);
478 HKLAPI HklEngineList
*hkl_factory_create_new_engine_list(const HklFactory
*self
) HKL_ARG_NONNULL(1);