sln.h (15913B)
1 /* Copyright (C) 2022, 2026 |Méso|Star> (contact@meso-star.com) 2 * Copyright (C) 2026 Université de Lorraine 3 * Copyright (C) 2022 Centre National de la Recherche Scientifique 4 * Copyright (C) 2022 Université Paul Sabatier 5 * 6 * This program is free software: you can redistribute it and/or modify 7 * it under the terms of the GNU General Public License as published by 8 * the Free Software Foundation, either version 3 of the License, or 9 * (at your option) any later version. 10 * 11 * This program is distributed in the hope that it will be useful, 12 * but WITHOUT ANY WARRANTY; without even the implied warranty of 13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 14 * GNU General Public License for more details. 15 * 16 * You should have received a copy of the GNU General Public License 17 * along with this program. If not, see <http://www.gnu.org/licenses/>. */ 18 19 #ifndef SLN_H 20 #define SLN_H 21 22 #include <star/shtr.h> 23 #include <rsys/rsys.h> 24 25 #include <float.h> 26 #include <math.h> 27 28 /* Library symbol management */ 29 #if defined(SLN_SHARED_BUILD) /* Build shared library */ 30 #define SLN_API extern EXPORT_SYM 31 #elif defined(SLN_STATIC) /* Use/build static library */ 32 #define SLN_API extern LOCAL_SYM 33 #else 34 #define SLN_API extern IMPORT_SYM 35 #endif 36 37 /* Helper macro that asserts if the invocation of the sln function `Func' 38 * returns an error. One should use this macro on sln calls for which no 39 * explicit error checking is performed */ 40 #ifndef NDEBUG 41 #define SLN(Func) ASSERT(sln_ ## Func == RES_OK) 42 #else 43 #define SLN(Func) sln_ ## Func 44 #endif 45 46 #define SLN_TREE_DEPTH_MAX 64 /* Maximum depth of a tree */ 47 #define SLN_TREE_ARITY_MAX 256 /* Maximum arity of a tree */ 48 #define SLN_LEAF_NLINES_MAX 16384 /* Maximum number of lines per leaf */ 49 50 /* Forward declaration of external data structures */ 51 struct logger; 52 struct mem_allocator; 53 struct shtr; 54 struct shtr_line; 55 struct shtr_isotope_metadata; 56 struct shtr_line_list; 57 58 enum sln_mesh_type { 59 SLN_MESH_FIT, /* Fit the spectrum */ 60 SLN_MESH_UPPER, /* Upper limit of the spectrum */ 61 SLN_MESH_TYPES_COUNT__ 62 }; 63 64 enum sln_line_profile { 65 SLN_LINE_PROFILE_VOIGT, 66 SLN_LINE_PROFILES_COUNT__ 67 }; 68 69 struct sln_device_create_args { 70 struct logger* logger; /* May be NULL <=> default logger */ 71 struct mem_allocator* allocator; /* NULL <=> use default allocator */ 72 int verbose; /* Verbosity level */ 73 }; 74 #define SLN_DEVICE_CREATE_ARGS_DEFAULT__ {NULL,NULL,0} 75 static const struct sln_device_create_args SLN_DEVICE_CREATE_ARGS_DEFAULT = 76 SLN_DEVICE_CREATE_ARGS_DEFAULT__; 77 78 struct sln_isotope { 79 double abundance; /* in [0, 1] */ 80 int id; /* Identifier of the isotope */ 81 }; 82 83 struct sln_molecule { 84 struct sln_isotope isotopes[SHTR_MAX_ISOTOPE_COUNT]; 85 double concentration; 86 double cutoff; /* [cm^-1] */ 87 int non_default_isotope_abundances; 88 }; 89 #define SLN_MOLECULE_NULL__ {{{0}},0,0,0} 90 static const struct sln_molecule SLN_MOLECULE_NULL = SLN_MOLECULE_NULL__; 91 92 struct sln_tree_create_args { 93 /* Isotope metadata and list of spectral lines */ 94 struct shtr_isotope_metadata* metadata; 95 struct shtr_line_list* lines; 96 97 enum sln_line_profile line_profile; 98 /* Mixture description */ 99 struct sln_molecule molecules[SHTR_MAX_MOLECULE_COUNT]; 100 101 /* Thermo dynamic properties */ 102 double pressure; /* [atm] */ 103 double temperature; /* [K] */ 104 105 /* Hint on the number of vertices around the line center */ 106 size_t nvertices_hint; 107 108 /* Relative error used to simplify the spectrum mesh. The larger it is, the 109 * coarser the mesh */ 110 double mesh_decimation_err; /* > 0 */ 111 enum sln_mesh_type mesh_type; /* Type of mesh to generate */ 112 113 /* Maximum number of children per node */ 114 unsigned arity; 115 116 /* Maximum number of lines per leaf */ 117 unsigned leaf_nlines; 118 119 /* When this option is enabled, the polylines of internal nodes are 120 * constructed by merging their children's polylines in pairs (and then 121 * simplifying the result), and repeating the process until only a single 122 * polyline remains, which becomes the internal node's polyline. 123 * 124 * If this option is disabled, all child polylines are merged in a single step 125 * before being simplified. 126 * 127 * Enabling this option only makes sense for trees with an arity greater than 128 * two. For a binary tree, both methods should produce exactly the same tree, 129 * down to the bit */ 130 int collapse_polylines; 131 132 /* Advice on the number of threads to use */ 133 unsigned nthreads_hint; 134 }; 135 #define SLN_TREE_CREATE_ARGS_DEFAULT__ { \ 136 NULL, /* metadata */ \ 137 NULL, /* line list */ \ 138 SLN_LINE_PROFILE_VOIGT, /* Profile */ \ 139 {SLN_MOLECULE_NULL__}, /* Molecules */ \ 140 0, /* Pressure [atm] */ \ 141 0, /* Temperature [K] */ \ 142 16, /* #vertices hint */ \ 143 0.01f, /* Mesh decimation error */ \ 144 SLN_MESH_UPPER, /* Mesh type */ \ 145 2, /* Arity */ \ 146 1, /* Number of lines per leaf */ \ 147 0, /* Collapse polylines */ \ 148 (unsigned)(-1), /* #threads hint */ \ 149 } 150 static const struct sln_tree_create_args SLN_TREE_CREATE_ARGS_DEFAULT = 151 SLN_TREE_CREATE_ARGS_DEFAULT__; 152 153 struct sln_tree_read_args { 154 /* Metadata and list of spectral lines from which the tree was constructed */ 155 struct shtr_isotope_metadata* metadata; 156 struct shtr_line_list* lines; 157 158 /* Name of the file to read or of the provided stream. 159 * NULL <=> uses a default name for the stream to be read, which must 160 * therefore be defined. */ 161 const char* filename; /* Name of the file to read */ 162 FILE* file; /* Stream from where data are read. NULL <=> read from file */ 163 164 /* Verify that the digital signature of the input lines matches the one stored 165 * in the tree. In other words, ensure that this list of lines is indeed the 166 * one used to construct the tree. An error is returned if the signatures do 167 * not match. 168 * 169 * Although it is always advisable to verify that the data matches what is 170 * expected, calculating the signatures of the lines can be time-consuming. 171 * Therefore, a user who is _certain_ that the data matches can disable this 172 * verification */ 173 int disable_line_hash_check; 174 }; 175 #define SLN_TREE_READ_ARGS_NULL__ {NULL,NULL,NULL,NULL,0} 176 static const struct sln_tree_read_args SLN_TREE_READ_ARGS_NULL = 177 SLN_TREE_READ_ARGS_NULL__; 178 179 struct sln_tree_write_args { 180 /* Name of the file in which the tree is serialized. 181 * NULL <=> uses a default name for the stream to be written, which must 182 * therefore be defined. */ 183 const char* filename; /* Name of the file to read */ 184 185 /* Stream where data is written. 186 * NULL <=> write to the file defined by "filename" */ 187 FILE* file; 188 }; 189 #define SLN_TREE_WRITE_ARGS_NULL__ {NULL,NULL} 190 static const struct sln_tree_write_args SLN_TREE_WRITE_ARGS_NULL = 191 SLN_TREE_WRITE_ARGS_NULL__; 192 193 struct sln_tree_desc { 194 double mesh_decimation_err; 195 enum sln_mesh_type mesh_type; 196 enum sln_line_profile line_profile; 197 198 double pressure; /* [atm] */ 199 double temperature; /* [K] */ 200 201 unsigned depth; /* #edges from the root to the deepest leaf */ 202 size_t nlines; 203 size_t nvertices; 204 size_t nnodes; 205 unsigned arity; 206 unsigned leaf_nlines; 207 }; 208 #define SLN_TREE_DESC_NULL__ { \ 209 0,SLN_MESH_TYPES_COUNT__,SLN_LINE_PROFILES_COUNT__,0,0,0,0,0,0,0,0 \ 210 } 211 static const struct sln_tree_desc SLN_TREE_DESC_NULL = SLN_TREE_DESC_NULL__; 212 213 struct sln_node_desc { 214 /* Range of lines belonging to the node. The endpoints are included */ 215 size_t ilines[2]; 216 size_t nvertices; 217 unsigned nchildren; 218 }; 219 #define SLN_NODE_DESC_NULL__ {{0,0},0,0} 220 static const struct sln_node_desc SLN_NODE_DESC_NULL = SLN_NODE_DESC_NULL__; 221 222 struct sln_vertex { /* 8 Bytes */ 223 float wavenumber; /* in cm^-1 */ 224 float ka; 225 }; 226 #define SLN_VERTEX_NULL__ {0,0} 227 static const struct sln_vertex SLN_VERTEX_NULL = SLN_VERTEX_NULL__; 228 229 struct sln_mesh { 230 const struct sln_vertex* vertices; 231 size_t nvertices; 232 }; 233 #define SLN_MESH_NULL__ {NULL,0} 234 static const struct sln_mesh SLN_MESH_NULL = SLN_MESH_NULL__; 235 236 struct sln_mixture_load_args { 237 const char* filename; /* Name of the file to load or of the provided stream */ 238 FILE* file; /* Stream from where data are loaded. NULL <=> load from file */ 239 240 /* Metadata from which the mix is defined */ 241 struct shtr_isotope_metadata* molparam; 242 }; 243 #define SLN_MIXTURE_LOAD_ARGS_NULL__ {NULL,NULL,NULL} 244 static const struct sln_mixture_load_args SLN_MIXTURE_LOAD_ARGS_NULL = 245 SLN_MIXTURE_LOAD_ARGS_NULL__; 246 247 struct sln_line { 248 double wavenumber; /* Line center wrt pressure in cm^-1 */ 249 double profile_factor; /* m^-1.cm^-1 (1e2*density*intensity) */ 250 double gamma_d; /* Doppler half width */ 251 double gamma_l; /* Lorentz half width */ 252 enum shtr_molecule_id molecule_id; 253 }; 254 #define SLN_LINE_NULL__ {0,0,0,0,SHTR_MOLECULE_ID_NULL} 255 static const struct sln_line SLN_LINE_NULL = SLN_LINE_NULL__; 256 257 /* Forward declarations of opaque data structures */ 258 struct sln_device; 259 struct sln_mixture; 260 struct sln_node; 261 struct sln_tree; 262 263 BEGIN_DECLS 264 265 /******************************************************************************* 266 * Device API 267 ******************************************************************************/ 268 SLN_API res_T 269 sln_device_create 270 (const struct sln_device_create_args* args, 271 struct sln_device** sln); 272 273 SLN_API res_T 274 sln_device_ref_get 275 (struct sln_device* sln); 276 277 SLN_API res_T 278 sln_device_ref_put 279 (struct sln_device* sln); 280 281 282 /******************************************************************************* 283 * Mixture API 284 ******************************************************************************/ 285 SLN_API res_T 286 sln_mixture_load 287 (struct sln_device* dev, 288 const struct sln_mixture_load_args* args, 289 struct sln_mixture** mixture); 290 291 SLN_API res_T 292 sln_mixture_ref_get 293 (struct sln_mixture* mixture); 294 295 SLN_API res_T 296 sln_mixture_ref_put 297 (struct sln_mixture* mixture); 298 299 SLN_API int 300 sln_mixture_get_molecule_count 301 (const struct sln_mixture* mixture); 302 303 SLN_API enum shtr_molecule_id 304 sln_mixture_get_molecule_id 305 (const struct sln_mixture* mixture, 306 const int index); 307 308 SLN_API res_T 309 sln_mixture_get_molecule 310 (const struct sln_mixture* mixture, 311 const int index, 312 struct sln_molecule* molecule); 313 314 /******************************************************************************* 315 * Tree API 316 ******************************************************************************/ 317 SLN_API res_T 318 sln_tree_create 319 (struct sln_device* dev, 320 const struct sln_tree_create_args* args, 321 struct sln_tree** tree); 322 323 /* Read a tree serialized with the "sln_tree_write" function */ 324 SLN_API res_T 325 sln_tree_read 326 (struct sln_device* sln, 327 const struct sln_tree_read_args* args, 328 struct sln_tree** tree); 329 330 SLN_API res_T 331 sln_tree_ref_get 332 (struct sln_tree* tree); 333 334 SLN_API res_T 335 sln_tree_ref_put 336 (struct sln_tree* tree); 337 338 SLN_API res_T 339 sln_tree_get_desc 340 (const struct sln_tree* tree, 341 struct sln_tree_desc* desc); 342 343 SLN_API const struct sln_node* /* NULL <=> No node */ 344 sln_tree_get_root 345 (const struct sln_tree* tree); 346 347 SLN_API res_T 348 sln_tree_get_line 349 (const struct sln_tree* tree, 350 const size_t iline, 351 struct sln_line* line); 352 353 SLN_API res_T 354 sln_tree_write 355 (const struct sln_tree* tree, 356 const struct sln_tree_write_args* args); 357 358 /******************************************************************************* 359 * Node API 360 ******************************************************************************/ 361 SLN_API int 362 sln_node_is_leaf 363 (const struct sln_node* node); 364 365 SLN_API unsigned 366 sln_node_get_child_count 367 (const struct sln_tree* tree, 368 const struct sln_node* node); 369 370 /* The node must not be a leaf */ 371 SLN_API const struct sln_node* 372 sln_node_get_child 373 (const struct sln_tree* tree, 374 const struct sln_node* node, 375 const unsigned ichild); /* 0 or #children */ 376 377 SLN_API double 378 sln_node_eval 379 (const struct sln_tree* tree, 380 const struct sln_node* node, 381 const double wavenumber); /* In cm^-1 */ 382 383 SLN_API res_T 384 sln_node_get_desc 385 (const struct sln_tree* tree, 386 const struct sln_node* node, 387 struct sln_node_desc* desc); 388 389 SLN_API res_T 390 sln_node_get_mesh 391 (const struct sln_tree* tree, 392 const struct sln_node* node, 393 struct sln_mesh* mesh); 394 395 /******************************************************************************* 396 * Miscellaneous 397 ******************************************************************************/ 398 SLN_API double 399 sln_line_eval 400 (const struct sln_tree* tree, 401 const struct sln_line* line, 402 const double wavenumber); /* In cm^-1 */ 403 404 SLN_API double 405 sln_mesh_eval 406 (const struct sln_mesh* mesh, 407 const double wavenumber); /* In cm^-1 */ 408 409 /******************************************************************************* 410 * Helper functions 411 ******************************************************************************/ 412 /* Purpose: to calculate the Faddeeva function with relative error less than 413 * 10^(-4). 414 * 415 * Inputs: x and y, parameters for the Voigt function : 416 * - x is defined as x=(nu-nu_c)/gamma_D*sqrt(ln(2)) with nu the current 417 * wavenumber, nu_c the wavenumber at line center, gamma_D the Doppler 418 * linewidth. 419 * - y is defined as y=gamma_L/gamma_D*sqrt(ln(2)) with gamma_L the Lorentz 420 * linewith and gamma_D the Doppler linewidth 421 * 422 * Output: k, the Voigt function; it has to be multiplied by 423 * sqrt(ln(2)/pi)*1/gamma_D so that the result may be interpretable in terms of 424 * line profile. 425 * 426 * TODO check the copyright */ 427 SLN_API double 428 sln_faddeeva 429 (const double x, 430 const double y); 431 432 static INLINE double 433 sln_compute_line_half_width_doppler 434 (const double nu, /* Line center wrt pressure in cm^-1 */ /* TODO check this */ 435 const double molar_mass, /* In kg.mol^-1 */ 436 const double temperature) /* In K */ 437 { 438 /* kb = 1.3806e-23 439 * Na = 6.02214076e23 440 * c = 299792458 441 * sqrt(2*log(2)*kb*Na)/c */ 442 const double sqrt_two_ln2_kb_Na_over_c = 1.1324431552553545042e-08; 443 const double gamma_d = nu * sqrt_two_ln2_kb_Na_over_c * sqrt(temperature/molar_mass); 444 ASSERT(temperature >= 0 && molar_mass > 0); 445 return gamma_d; 446 } 447 448 static INLINE double 449 sln_compute_line_half_width_lorentz 450 (const double gamma_air, /* Air broadening half width [cm^-1.atm^-1] */ 451 const double gamma_self, /* Air broadening half width [cm^-1.atm^-1] */ 452 const double temperature, /* [K] */ 453 const double pressure, /* [atm^-1] */ 454 const double n_air, 455 const double concentration) 456 { 457 const double TREF=296; /* Ref temperature [K] for HITRAN/HITEMP database */ 458 const double Ps = pressure * concentration; 459 const double n_self = n_air; /* In HITRAN n_air == n_self */ 460 const double gamma_l = 461 pow(TREF/temperature, n_air) * (pressure - Ps) * gamma_air 462 + pow(TREF/temperature, n_self) * Ps * gamma_self; 463 ASSERT(gamma_air > 0 && gamma_self > 0); 464 ASSERT(pressure > 0 && concentration >= 0 && concentration <= 1); 465 466 return gamma_l; 467 } 468 469 static INLINE double 470 sln_compute_voigt_profile 471 (const double wavenumber, /* In cm^-1 */ 472 const double nu, /* Line center in cm^-1 */ 473 const double gamma_d, /* Doppler line half width in cm^-1 */ 474 const double gamma_l) /* Lorentz line half width in cm^-1 */ 475 { 476 /* Constants */ 477 const double sqrt_ln2 = 0.83255461115769768821; /* sqrt(log(2)) */ 478 const double sqrt_ln2_over_pi = 0.46971863934982566180; /* sqrt(log(2)/M_PI) */ 479 const double sqrt_ln2_over_gamma_d = sqrt_ln2 / gamma_d; 480 481 const double x = (wavenumber - nu) * sqrt_ln2_over_gamma_d; 482 const double y = gamma_l * sqrt_ln2_over_gamma_d; 483 const double k = sln_faddeeva(x, y); 484 return k*sqrt_ln2_over_pi/gamma_d; 485 } 486 487 static INLINE const char* 488 sln_mesh_type_cstr(const enum sln_mesh_type type) 489 { 490 const char* cstr = NULL; 491 492 switch(type) { 493 case SLN_MESH_FIT: cstr = "fit"; break; 494 case SLN_MESH_UPPER: cstr = "upper"; break; 495 default: FATAL("Unreachable code\n"); break; 496 } 497 return cstr; 498 } 499 500 static INLINE const char* 501 sln_line_profile_cstr(const enum sln_line_profile profile) 502 { 503 const char* cstr = NULL; 504 505 switch(profile) { 506 case SLN_LINE_PROFILE_VOIGT: cstr = "voigt"; break; 507 default: FATAL("Unreachable code\n"); break; 508 } 509 return cstr; 510 } 511 512 END_DECLS 513 514 #endif /* SLN_H */