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) 2003-2014 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 <glib.h> // for g_set_error, GError etc
29 #include <hkl/ccan/darray/darray.h> // for darray
32 #if __GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 1)
33 # define HKL_DEPRECATED __attribute__((__deprecated__))
34 #elif defined(_MSC_VER) && (_MSC_VER >= 1300)
35 # define HKL_DEPRECATED __declspec(deprecated)
37 # define HKL_DEPRECATED
40 #if __GNUC__ > 4 || (__GNUC__ == 4 && __GNUC_MINOR__ >= 5)
41 # define HKL_DEPRECATED_FOR(f) __attribute__((__deprecated__("Use '" #f "' instead")))
42 #elif defined(_MSC_FULL_VER) && (_MSC_FULL_VER > 140050320)
43 # define HKL_DEPRECATED_FOR(f) __declspec(deprecated("is deprecated. Use '" #f "' instead"))
45 # define HKL_DEPRECATED_FOR(f) HKL_DEPRECATED
52 #define HKL_EPSILON 1e-6
53 #define HKL_DEGTORAD (M_PI/180.)
54 #define HKL_RADTODEG (180./M_PI)
57 #define HKL_TAU (2. * M_PI)
58 /* #define HKL_TAU 1 */
66 # define HKLAPI __attribute__ ((visibility("default")))
73 * @brief Used to export functions(by changing visibility).
78 #if (__GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 3))
79 # define HKL_ARG_NONNULL(...) __attribute__ ((__nonnull__(__VA_ARGS__)))
81 # define HKL_ARG_NONNULL(...)
84 #define _darray(type) type *item; size_t size; size_t alloc
92 typedef struct _HklMatrix HklMatrix
;
94 HKLAPI HklMatrix
*hkl_matrix_new(void);
96 HKLAPI HklMatrix
*hkl_matrix_new_full(double m11
, double m12
, double m13
,
97 double m21
, double m22
, double m23
,
98 double m31
, double m32
, double m33
);
100 HKLAPI HklMatrix
*hkl_matrix_new_euler(double euler_x
, double euler_y
, double euler_z
);
102 HKLAPI
double hkl_matrix_get(const HklMatrix
*self
, unsigned int i
, unsigned int j
) HKL_ARG_NONNULL(1);
104 HKLAPI
void hkl_matrix_free(HklMatrix
*self
) HKL_ARG_NONNULL(1);
106 HKLAPI
void hkl_matrix_init(HklMatrix
*self
,
107 double m11
, double m12
, double m13
,
108 double m21
, double m22
, double m23
,
109 double m31
, double m32
, double m33
) HKL_ARG_NONNULL(1);
111 HKLAPI
int hkl_matrix_cmp(const HklMatrix
*self
, const HklMatrix
*m
) HKL_ARG_NONNULL(1, 2);
113 HKLAPI
void hkl_matrix_times_matrix(HklMatrix
*self
, const HklMatrix
*m
) HKL_ARG_NONNULL(1, 2);
119 typedef struct _HklParameter HklParameter
;
123 HKLAPI HklParameter
*hkl_parameter_new_copy(const HklParameter
*self
) HKL_ARG_NONNULL(1);
125 HKLAPI
void hkl_parameter_free(HklParameter
*self
) HKL_ARG_NONNULL(1);
127 HKLAPI
const char *hkl_parameter_name_get(const HklParameter
*self
) HKL_ARG_NONNULL(1);
129 HKLAPI
double hkl_parameter_value_get(const HklParameter
*self
) HKL_ARG_NONNULL(1);
131 HKLAPI
int hkl_parameter_value_set(HklParameter
*self
, double value
,
132 GError
**error
) HKL_ARG_NONNULL(1);
134 HKLAPI
double hkl_parameter_value_unit_get(const HklParameter
*self
) HKL_ARG_NONNULL(1);
136 HKLAPI
int hkl_parameter_value_unit_set(HklParameter
*self
, double value
,
137 GError
**error
) HKL_ARG_NONNULL(1);
139 HKLAPI
void hkl_parameter_min_max_get(const HklParameter
*self
, double *min
, double *max
) HKL_ARG_NONNULL(1, 2, 3);
141 HKLAPI
void hkl_parameter_min_max_set(HklParameter
*self
, double min
, double max
) HKL_ARG_NONNULL(1);
143 HKLAPI
void hkl_parameter_min_max_unit_get(const HklParameter
*self
, double *min
, double *max
) HKL_ARG_NONNULL(1, 2, 3);
145 HKLAPI
void hkl_parameter_min_max_unit_set(HklParameter
*self
, double min
, double max
) HKL_ARG_NONNULL(1);
147 HKLAPI
int hkl_parameter_fit_get(const HklParameter
*self
) HKL_ARG_NONNULL(1);
149 HKLAPI
void hkl_parameter_fit_set(HklParameter
*self
, int fit
) HKL_ARG_NONNULL(1);
151 HKLAPI
void hkl_parameter_randomize(HklParameter
*self
) HKL_ARG_NONNULL(1);
157 typedef struct _HklDetector HklDetector
;
158 typedef enum _HklDetectorType
163 HKLAPI
void hkl_detector_free(HklDetector
*self
) HKL_ARG_NONNULL(1);
165 HKLAPI
void hkl_detector_idx_set(HklDetector
*self
, int idx
) HKL_ARG_NONNULL(1);
167 HKLAPI
void hkl_detector_fprintf(FILE *f
, const HklDetector
*self
) HKL_ARG_NONNULL(1, 2);
169 HKLAPI HklDetector
*hkl_detector_factory_new(HklDetectorType type
);
175 typedef struct _HklGeometry HklGeometry
;
176 typedef struct _HklGeometryList HklGeometryList
;
177 typedef struct _HklGeometryListItem HklGeometryListItem
;
181 HKLAPI
void hkl_geometry_free(HklGeometry
*self
) HKL_ARG_NONNULL(1);
183 HKLAPI
void hkl_geometry_set(HklGeometry
*self
, const HklGeometry
*src
) HKL_ARG_NONNULL(1, 2);
185 HKLAPI
const HklParameter
*hkl_geometry_axis_get(const HklGeometry
*self
, const char *name
) HKL_ARG_NONNULL(1, 2);
187 HKLAPI
void hkl_geometry_axis_set(HklGeometry
*self
, const HklParameter
*axis
) HKL_ARG_NONNULL(1, 2);
189 HKLAPI
const char *hkl_geometry_name_get(const HklGeometry
*self
) HKL_ARG_NONNULL(1);
191 HKLAPI
double hkl_geometry_wavelength_get(const HklGeometry
*self
) HKL_ARG_NONNULL(1);
193 HKLAPI
void hkl_geometry_wavelength_set(HklGeometry
*self
, double wavelength
) HKL_ARG_NONNULL(1);
195 HKLAPI
void hkl_geometry_randomize(HklGeometry
*self
) HKL_ARG_NONNULL(1);
197 /* TODO after bissecting it seems that this method is slow (to replace) */
198 HKLAPI
int hkl_geometry_set_values_unit_v(HklGeometry
*self
, ...) HKL_ARG_NONNULL(1);
200 HKLAPI
void hkl_geometry_fprintf(FILE *file
, const HklGeometry
*self
) HKL_ARG_NONNULL(1, 2);
202 /* HklGeometryList */
204 #define HKL_GEOMETRY_LIST_FOREACH(item, list) for((item)=hkl_geometry_list_items_first_get((list)); \
206 (item)=hkl_geometry_list_items_next_get((list), (item)))
208 HKLAPI
size_t hkl_geometry_list_n_items_get(const HklGeometryList
*self
) HKL_ARG_NONNULL(1);
210 HKLAPI
const HklGeometryListItem
*hkl_geometry_list_items_first_get(const HklGeometryList
*self
) HKL_ARG_NONNULL(1);
212 HKLAPI
const HklGeometryListItem
*hkl_geometry_list_items_next_get(const HklGeometryList
*self
,
213 const HklGeometryListItem
*item
) HKL_ARG_NONNULL(1, 2);
215 /* HklGeometryListItem */
217 HKLAPI
const HklGeometry
*hkl_geometry_list_item_geometry_get(const HklGeometryListItem
*self
) HKL_ARG_NONNULL(1);
223 typedef struct _HklLattice HklLattice
;
224 typedef struct _HklSample HklSample
;
225 typedef struct _HklSampleReflection HklSampleReflection
;
229 HKLAPI HklLattice
*hkl_lattice_new(double a
, double b
, double c
,
230 double alpha
, double beta
, double gamma
);
232 HKLAPI HklLattice
*hkl_lattice_new_copy(const HklLattice
*self
) HKL_ARG_NONNULL(1);
234 HKLAPI HklLattice
*hkl_lattice_new_default(void);
236 HKLAPI
void hkl_lattice_free(HklLattice
*self
) HKL_ARG_NONNULL(1);
238 HKLAPI
const HklParameter
*hkl_lattice_a_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
240 HKLAPI
void hkl_lattice_a_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
242 HKLAPI
const HklParameter
*hkl_lattice_b_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
244 HKLAPI
void hkl_lattice_b_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
246 HKLAPI
const HklParameter
*hkl_lattice_c_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
248 HKLAPI
void hkl_lattice_c_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
250 HKLAPI
const HklParameter
*hkl_lattice_alpha_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
252 HKLAPI
void hkl_lattice_alpha_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
254 HKLAPI
const HklParameter
*hkl_lattice_beta_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
256 HKLAPI
void hkl_lattice_beta_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
258 HKLAPI
const HklParameter
*hkl_lattice_gamma_get(const HklLattice
*self
) HKL_ARG_NONNULL(1);
260 HKLAPI
void hkl_lattice_gamma_set(HklLattice
*self
, const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
262 HKLAPI
int hkl_lattice_set(HklLattice
*self
,
263 double a
, double b
, double c
,
264 double alpha
, double beta
, double gamma
) HKL_ARG_NONNULL(1);
266 HKLAPI
void hkl_lattice_get(const HklLattice
*self
,
267 double *a
, double *b
, double *c
,
268 double *alpha
, double *beta
, double *gamma
) HKL_ARG_NONNULL(1, 2, 3, 4, 5, 6, 7);
270 HKLAPI
int hkl_lattice_get_B(const HklLattice
*self
, HklMatrix
*B
) HKL_ARG_NONNULL(1, 2);
272 HKLAPI
int hkl_lattice_get_1_B(const HklLattice
*self
, HklMatrix
*B
) HKL_ARG_NONNULL(1, 2);
274 HKLAPI
int hkl_lattice_reciprocal(const HklLattice
*self
, HklLattice
*reciprocal
) HKL_ARG_NONNULL(1, 2);
278 HKLAPI HklSample
*hkl_sample_new(const char *name
) HKL_ARG_NONNULL(1);
280 HKLAPI HklSample
*hkl_sample_new_copy(const HklSample
*self
) HKL_ARG_NONNULL(1);
282 HKLAPI
void hkl_sample_free(HklSample
*self
) HKL_ARG_NONNULL(1);
284 HKLAPI
const char *hkl_sample_name_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
286 HKLAPI
void hkl_sample_name_set(HklSample
*self
, const char *name
) HKL_ARG_NONNULL(1, 2);
288 HKLAPI
const HklLattice
*hkl_sample_lattice_get(HklSample
*self
) HKL_ARG_NONNULL(1);
290 HKLAPI
void hkl_sample_lattice_set(HklSample
*self
, const HklLattice
*lattice
) HKL_ARG_NONNULL(1, 2);
292 HKLAPI
const HklParameter
*hkl_sample_ux_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
294 HKLAPI
void hkl_sample_ux_set(HklSample
*self
, const HklParameter
*ux
) HKL_ARG_NONNULL(1, 2);
296 HKLAPI
const HklParameter
*hkl_sample_uy_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
298 HKLAPI
void hkl_sample_uy_set(HklSample
*self
, const HklParameter
*uy
) HKL_ARG_NONNULL(1, 2);
300 HKLAPI
const HklParameter
*hkl_sample_uz_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
302 HKLAPI
void hkl_sample_uz_set(HklSample
*self
, const HklParameter
*uz
) HKL_ARG_NONNULL(1, 2);
304 HKLAPI
const HklMatrix
*hkl_sample_U_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
306 HKLAPI
void hkl_sample_U_set(HklSample
*self
, const HklMatrix
*U
) HKL_ARG_NONNULL(1);
308 HKLAPI
const HklMatrix
*hkl_sample_UB_get(const HklSample
*self
) HKL_ARG_NONNULL(1);
310 HKLAPI
double hkl_sample_UB_set(HklSample
*self
, const HklMatrix
*UB
) HKL_ARG_NONNULL(1, 2);
312 HKLAPI HklSampleReflection
*hkl_sample_first_reflection_get(HklSample
*self
) HKL_ARG_NONNULL(1);
314 HKLAPI HklSampleReflection
*hkl_sample_next_reflection_get(HklSample
*self
,
315 HklSampleReflection
*reflection
) HKL_ARG_NONNULL(1, 2);
317 HKLAPI
void hkl_sample_del_reflection(HklSample
*self
,
318 HklSampleReflection
*reflection
) HKL_ARG_NONNULL(1, 2);
320 HKLAPI
void hkl_sample_add_reflection(HklSample
*self
,
321 HklSampleReflection
*reflection
) HKL_ARG_NONNULL(1, 2);
323 HKLAPI
int hkl_sample_compute_UB_busing_levy(HklSample
*self
,
324 const HklSampleReflection
*r1
,
325 const HklSampleReflection
*r2
) HKL_ARG_NONNULL(1, 2, 3);
327 HKLAPI
double hkl_sample_get_reflection_mesured_angle(const HklSample
*self
,
328 const HklSampleReflection
*r1
,
329 const HklSampleReflection
*r2
) HKL_ARG_NONNULL(1, 2, 3);
331 HKLAPI
double hkl_sample_get_reflection_theoretical_angle(const HklSample
*self
,
332 const HklSampleReflection
*r1
,
333 const HklSampleReflection
*r2
) HKL_ARG_NONNULL(1, 2, 3);
335 HKLAPI
double hkl_sample_affine(HklSample
*self
) HKL_ARG_NONNULL(1);
337 /* hklSampleReflection */
339 HKLAPI HklSampleReflection
*hkl_sample_reflection_new(const HklGeometry
*geometry
,
340 const HklDetector
*detector
,
341 double h
, double k
, double l
) HKL_ARG_NONNULL(1, 2);
343 HKLAPI
void hkl_sample_reflection_hkl_get(const HklSampleReflection
*self
,
344 double *h
, double *k
, double *l
) HKL_ARG_NONNULL(1, 2, 3, 4);
346 HKLAPI
void hkl_sample_reflection_hkl_set(HklSampleReflection
*self
,
347 double h
, double k
, double l
) HKL_ARG_NONNULL(1);
349 HKLAPI
int hkl_sample_reflection_flag_get(const HklSampleReflection
*self
) HKL_ARG_NONNULL(1);
351 HKLAPI
void hkl_sample_reflection_flag_set(HklSampleReflection
*self
, int flag
) HKL_ARG_NONNULL(1);
353 HKLAPI
const HklGeometry
*hkl_sample_reflection_geometry_get(HklSampleReflection
*self
) HKL_ARG_NONNULL(1);
355 HKLAPI
void hkl_sample_reflection_geometry_set(HklSampleReflection
*self
,
356 const HklGeometry
*geometry
) HKL_ARG_NONNULL(1, 2);
362 typedef struct _HklPseudoAxis HklPseudoAxis
;
363 typedef struct _HklEngine HklEngine
;
364 typedef struct _HklEngineList HklEngineList
;
366 typedef darray(const char *) darray_string
;
367 typedef darray(HklEngine
*) darray_engine
;
371 HKLAPI
const char *hkl_engine_name_get(const HklEngine
*self
) HKL_ARG_NONNULL(1);
373 HKLAPI
unsigned int hkl_engine_len(const HklEngine
*self
) HKL_ARG_NONNULL(1);
375 HKLAPI
const darray_string
*hkl_engine_pseudo_axes_names_get(HklEngine
*self
) HKL_ARG_NONNULL(1);
377 HKLAPI
void hkl_engine_pseudo_axes_values_get(HklEngine
*self
,
378 double values
[], size_t n_values
) HKL_ARG_NONNULL(1, 2);
380 HKLAPI
unsigned int hkl_engine_pseudo_axes_values_set(HklEngine
*self
,
381 double values
[], size_t n_values
,
382 GError
**error
) HKL_ARG_NONNULL(1, 2);
384 HKLAPI
void hkl_engine_pseudo_axes_randomize(HklEngine
*self
) HKL_ARG_NONNULL(1);
386 HKLAPI
const HklParameter
*hkl_engine_pseudo_axis_get(const HklEngine
*self
,
387 const char *name
) HKL_ARG_NONNULL(1, 2);
389 HKLAPI
unsigned int hkl_engine_pseudo_axis_set(HklEngine
*self
,
390 const HklParameter
*parameter
,
391 GError
**error
) HKL_ARG_NONNULL(1, 2);
393 HKLAPI
const darray_string
*hkl_engine_modes_names_get(const HklEngine
*self
) HKL_ARG_NONNULL(1);
395 HKLAPI
void hkl_engine_select_mode(HklEngine
*self
,
396 const char *name
) HKL_ARG_NONNULL(1, 2);
398 HKLAPI
const darray_string
*hkl_engine_parameters_names_get(const HklEngine
*self
) HKL_ARG_NONNULL(1);
400 HKLAPI
unsigned int hkl_engine_parameters_values_set(HklEngine
*self
,
401 double values
[], size_t n_values
,
402 GError
**error
) HKL_ARG_NONNULL(1, 2);
404 HKLAPI
void hkl_engine_parameters_randomize(HklEngine
*self
) HKL_ARG_NONNULL(1);
406 HKLAPI
const HklParameter
*hkl_engine_parameter_get(const HklEngine
*self
,
407 const char *name
) HKL_ARG_NONNULL(1, 2);
409 HKLAPI
void hkl_engine_parameter_set(HklEngine
*self
,
410 const HklParameter
*parameter
) HKL_ARG_NONNULL(1, 2);
412 HKLAPI HklEngineList
*hkl_engine_engines_get(HklEngine
*self
) HKL_ARG_NONNULL(1);
414 HKLAPI
int hkl_engine_initialize(HklEngine
*self
, GError
**error
) HKL_ARG_NONNULL(1);
416 HKLAPI
int hkl_engine_set(HklEngine
*self
, GError
**error
) HKL_ARG_NONNULL(1);
418 HKLAPI
int hkl_engine_get(HklEngine
*self
, GError
**error
) HKL_ARG_NONNULL(1);
420 HKLAPI
void hkl_engine_fprintf(FILE *f
, const HklEngine
*self
) HKL_ARG_NONNULL(1, 2);
424 HKLAPI
void hkl_engine_list_free(HklEngineList
*self
) HKL_ARG_NONNULL(1);
426 HKLAPI darray_engine
*hkl_engine_list_engines_get(HklEngineList
*self
) HKL_ARG_NONNULL(1);
428 HKLAPI HklGeometry
*hkl_engine_list_geometry_get(HklEngineList
*self
) HKL_ARG_NONNULL(1);
430 HKLAPI
void hkl_engine_list_geometry_set(HklEngineList
*self
, const HklGeometry
*geometry
) HKL_ARG_NONNULL(1, 2);
432 HKLAPI
const HklGeometryList
*hkl_engine_list_geometries_get(const HklEngineList
*self
) HKL_ARG_NONNULL(1);
434 HKLAPI
void hkl_engine_list_select_solution(HklEngineList
*self
,
435 const HklGeometryListItem
*item
) HKL_ARG_NONNULL(1);
437 HKLAPI HklEngine
*hkl_engine_list_engine_get_by_name(HklEngineList
*self
,
438 const char *name
) HKL_ARG_NONNULL(1, 2);
440 HKLAPI HklParameter
*hkl_engine_list_pseudo_axis_get_by_name(const HklEngineList
*self
,
441 const char *name
) HKL_ARG_NONNULL(1, 2);
443 HKLAPI
void hkl_engine_list_init(HklEngineList
*self
,
444 HklGeometry
*geometry
,
445 HklDetector
*detector
,
446 HklSample
*sample
) HKL_ARG_NONNULL(1, 2, 3, 4);
448 HKLAPI
int hkl_engine_list_get(HklEngineList
*self
) HKL_ARG_NONNULL(1);
450 HKLAPI
void hkl_engine_list_fprintf(FILE *f
,
451 const HklEngineList
*self
) HKL_ARG_NONNULL(1, 2);
457 typedef struct _HklFactory HklFactory
;
459 HKLAPI HklFactory
**hkl_factory_get_all(unsigned int *n
) HKL_ARG_NONNULL(1);
461 HKLAPI HklFactory
*hkl_factory_get_by_name(const char *name
) HKL_ARG_NONNULL(1);
463 HKLAPI
const char *hkl_factory_name(const HklFactory
*self
) HKL_ARG_NONNULL(1);
465 HKLAPI
const char **hkl_factory_axes_get(const HklFactory
*self
,
466 size_t *length
) HKL_ARG_NONNULL(1, 2);
468 HKLAPI HklGeometry
*hkl_factory_create_new_geometry(const HklFactory
*self
) HKL_ARG_NONNULL(1);
470 HKLAPI HklEngineList
*hkl_factory_create_new_engine_list(const HklFactory
*self
) HKL_ARG_NONNULL(1);