ARTS  2.0.49
partition_function_data.cc
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1 /* Copyright (C) 2000-2008
2  Stefan Buehler <sbuehler@ltu.se>,
3  Axel von Engeln <engeln@uni-bremen.de>,
4  Carmen Verdes <cverdes@uni-bremen.de>
5 
6  This program is free software; you can redistribute it and/or modify it
7  under the terms of the GNU General Public License as published by the
8  Free Software Foundation; either version 2, or (at your option) any
9  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, write to the Free Software
18  Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307,
19  USA. */
20 
38 #include "arts.h"
39 #include "make_array.h"
40 #include "absorption.h"
41 
42 /*
43  Default values for a linear molecule:
44 
45  c0 c1 c2 c3
46  0.0 1.0 0.0 0.0
47 
48  and for non linear molecules:
49 
50  c0 c1 c2 c3
51  -76.2339 6.95356 1.30510e-07 -1.17068e-11
52 
53  Here we assumed that either
54 
55  linear: Q = T
56  non-linear: Q = T^1.5
57 
58  These numbers are from Axel von Engeln, May 2005.
59 */
60 
63 #define Qcoeff MakeArray<Numeric>
64 
65 
66 
151 void spec(Array<SpeciesRecord>::iterator& is,
152  Array<IsotopeRecord>::iterator& ii,
153  String name);
154 
155 void iso(Array<IsotopeRecord>::iterator& ii,
156  String name,
157  const ArrayOfNumeric& coeff);
158 
159 
160 void define_partition_species_data()
161 {
162  extern Array<SpeciesRecord> species_data;
163 
164  Array<SpeciesRecord>::iterator it_species = species_data.begin();
165  Array<IsotopeRecord>::iterator it_isotope;
166 
167 
168  // H2O
169  // Coeff: 1 1 1 1 1 1 2
170  //
171  // There are dummy entries here for the continuum tags. Of course,
172  // continua need no partition functions, but the entries must be
173  // present, so that the consistency check between species_data and
174  // partition_function_data is successful. Thomas, you will also need
175  // to add more dummy entries here in case you add more continuum tags.
176  //
177  // Excetp isotope 262, data for all other isotopes is obtained by using the new code provided by Bob Gamasche (falged with HITRAN). The missing data is taken from JPL.
178  spec(it_species, it_isotope, "H2O");
179  // Name c0 c1 c2 c3
180  // | | | | |
181 iso(it_isotope, "161" , Qcoeff(-6.065594e+00, 2.907027e-01, 1.246245e-03, -5.606119e-07 )); //HITRAN
182 iso(it_isotope, "181" , Qcoeff(-7.220624e+00, 2.945347e-01, 1.250362e-03, -5.554638e-07 )); //HITRAN
183 iso(it_isotope, "171" , Qcoeff(-4.668105e+01, 1.819186e+00, 7.137470e-03, -2.670352e-06 )); //HITRAN
184 iso(it_isotope, "162" , Qcoeff(-4.084466e+01, 1.484533e+00, 5.953330e-03, -2.359695e-06 )); //HITRAN
185 iso(it_isotope, "182" , Qcoeff(-3.529770e+01, 1.503267e+00, 6.020059e-03, -2.389284e-06 )); //HITRAN
186 iso(it_isotope, "172" , Qcoeff(-2.098457e+02, 8.959286e+00, 3.593721e-02, -1.428880e-05 )); //HITRAN
187  iso(it_isotope, "262" , Qcoeff(-3.572493e+01, 1.652500e+00, 7.633309e-03, -3.770940e-06 )); // JPL
188  iso(it_isotope, "SelfContStandardType", Qcoeff( 0 ,0 ,0 ,0 ) );
189  iso(it_isotope, "ForeignContStandardType", Qcoeff( 0 ,0 ,0 ,0 ) );
190  iso(it_isotope, "ForeignContMaTippingType", Qcoeff( 0 ,0 ,0 ,0 ) );
191  iso(it_isotope, "ContMPM93", Qcoeff( 0 ,0 ,0 ,0 ) );
192  iso(it_isotope, "SelfContCKDMT100", Qcoeff( 0 ,0 ,0 ,0 ) );
193  iso(it_isotope, "ForeignContCKDMT100", Qcoeff( 0 ,0 ,0 ,0 ) );
194  iso(it_isotope, "SelfContCKD222", Qcoeff( 0 ,0 ,0 ,0 ) );
195  iso(it_isotope, "ForeignContCKD222", Qcoeff( 0 ,0 ,0 ,0 ) );
196  iso(it_isotope, "SelfContCKD242", Qcoeff( 0 ,0 ,0 ,0 ) );
197  iso(it_isotope, "ForeignContCKD242", Qcoeff( 0 ,0 ,0 ,0 ) );
198  iso(it_isotope, "SelfContCKD24", Qcoeff( 0 ,0 ,0 ,0 ) );
199  iso(it_isotope, "ForeignContCKD24", Qcoeff( 0 ,0 ,0 ,0 ) );
200  iso(it_isotope, "ForeignContATM01", Qcoeff( 0 ,0 ,0 ,0 ) );
201  iso(it_isotope, "CP98", Qcoeff( 0 ,0 ,0 ,0 ) );
202  iso(it_isotope, "MPM87",Qcoeff( 0 ,0 ,0 ,0 ) );
203  iso(it_isotope, "MPM89",Qcoeff( 0 ,0 ,0 ,0 ) );
204  iso(it_isotope, "MPM93",Qcoeff( 0 ,0 ,0 ,0 ) );
205  iso(it_isotope, "PWR98",Qcoeff( 0 ,0 ,0 ,0 ) );
206 
207 
208  // CO2
209  // Coeff: 1 1 1 1 1 1 1 1
210  spec(it_species, it_isotope, "CO2");
211  // Name c0 c1 c2 c3
212  // | | | | |
213 iso(it_isotope, "626" , Qcoeff(-1.720718e+00, 9.669217e-01, -8.277298e-04, 2.891070e-06 )); //HITRAN
214 iso(it_isotope, "636" , Qcoeff(-1.850250e+00, 1.912107e+00, -1.599677e-03, 5.955462e-06 )); //HITRAN
215 iso(it_isotope, "628" , Qcoeff(-2.989446e+00, 2.041095e+00, -1.732748e-03, 6.174831e-06 )); //HITRAN
216 iso(it_isotope, "627" , Qcoeff(-2.256240e+01, 1.197737e+01, -1.036863e-02, 3.618820e-05 )); //HITRAN
217 iso(it_isotope, "638" , Qcoeff(-1.882095e+00, 4.025528e+00, -3.299047e-03, 1.266725e-05 )); //HITRAN
218 iso(it_isotope, "637" , Qcoeff(-1.788894e+01, 2.358158e+01, -1.957976e-02, 7.389405e-05 )); //HITRAN
219 iso(it_isotope, "828" , Qcoeff(-1.818540e+00, 1.086818e+00, -9.427241e-04, 3.352295e-06 )); //HITRAN
220 iso(it_isotope, "728" , Qcoeff(-2.087791e+01, 1.266486e+01, -1.091287e-02, 3.874034e-05 )); //HITRAN
221 iso(it_isotope, "CKD241", Qcoeff( 0 ,0 ,0 ,0 ) );
222 iso(it_isotope, "CKDMT100", Qcoeff( 0 ,0 ,0 ,0 ) );
223 iso(it_isotope, "SelfContPWR93", Qcoeff( 0 ,0 ,0 ,0 ) );
224 iso(it_isotope, "ForeignContPWR93", Qcoeff( 0 ,0 ,0 ,0 ) );
225 
226 
227 
228  // O3
229  // Coeff: 1 1 1 1 1
230  spec(it_species, it_isotope, "O3");
231  // Name c0 c1 c2 c3
232  // | | | | |
233 iso(it_isotope, "666" , Qcoeff(-2.773214e+02, 8.175293e+00, 6.892651e-03, 2.842028e-05 )); //HITRAN
234 iso(it_isotope, "668" , Qcoeff(-5.978029e+02, 1.759117e+01, 1.353516e-02, 6.440030e-05 )); //HITRAN
235 iso(it_isotope, "686" , Qcoeff(-3.005190e+02, 8.726453e+00, 5.976672e-03, 3.241643e-05 )); //HITRAN
236 iso(it_isotope, "667" , Qcoeff(-3.454638e+03, 1.018144e+02, 8.249751e-02, 3.631247e-04 )); //HITRAN
237 iso(it_isotope, "676" , Qcoeff(-1.735693e+03, 5.072998e+01, 3.877763e-02, 1.821985e-04 )); //HITRAN
238 
239 
240 
241  // N2O
242  // Coeff: 1 1 1 1 1
243  spec(it_species, it_isotope, "N2O");
244  // Name c0 c1 c2 c3
245  // | | | | |
246 iso(it_isotope, "446" , Qcoeff(3.478254e+01, 1.530195e+01, -1.120080e-02, 5.472145e-05 )); //HITRAN
247 iso(it_isotope, "456" , Qcoeff(3.479618e+01, 1.002537e+01, -6.789834e-03, 3.681093e-05 )); //HITRAN
248 iso(it_isotope, "546" , Qcoeff(2.435117e+01, 1.055152e+01, -7.756090e-03, 3.819981e-05 )); //HITRAN
249 iso(it_isotope, "448" , Qcoeff(4.066999e+01, 1.615921e+01, -1.180945e-02, 5.883212e-05 )); //HITRAN
250 iso(it_isotope, "447" , Qcoeff(2.050163e+02, 9.473303e+01, -7.029656e-02, 3.426216e-04 )); //HITRAN
251 
252 
253  // CO
254  // Coeff: 1 1 1 1 1 1
255  spec(it_species, it_isotope, "CO");
256  // Name c0 c1 c2 c3
257  // | | | | |
258 iso(it_isotope, "26" , Qcoeff(3.243148e-01, 3.601229e-01, 1.538205e-06, 2.385704e-09 )); //HITRAN
259 iso(it_isotope, "36" , Qcoeff(4.632274e-01, 7.560062e-01, -8.390593e-06, 2.229242e-08 )); //HITRAN
260 iso(it_isotope, "28" , Qcoeff(2.874382e-01, 3.786605e-01, -5.551926e-07, 5.629838e-09 )); //HITRAN
261 iso(it_isotope, "27" , Qcoeff(1.697400e+00, 2.220079e+00, -4.074631e-06, 3.291954e-08 )); //HITRAN
262 iso(it_isotope, "38" , Qcoeff(6.558005e-01, 7.928532e-01, 4.443750e-06, 3.520833e-09 )); //HITRAN
263 iso(it_isotope, "37" , Qcoeff(3.990599e+00, 4.641927e+00, 2.855732e-05, 1.499385e-08 )); //HITRAN
264 
265  // CH4
266  // Coeff: 1 1 1
267  spec(it_species, it_isotope, "CH4");
268  // Name c0 c1 c2 c3
269  // | | | | |
270 iso(it_isotope, "211" , Qcoeff(-3.640461e+01, 1.202398e+00, 3.005684e-03, 2.911372e-07 )); //HITRAN
271 iso(it_isotope, "311" , Qcoeff(-7.385939e+01, 2.419567e+00, 5.941999e-03, 6.864449e-07 )); //HITRAN
272 iso(it_isotope, "212" , Qcoeff(-3.003903e+02, 9.769371e+00, 2.411804e-02, 2.704667e-06 )); //HITRAN
273 
274 
275 
276  // O2
277  // Coeff: 1 1 1
278  spec(it_species, it_isotope, "O2");
279  // Name c0 c1 c2 c3
280  // | | | | |
281 iso(it_isotope, "66" , Qcoeff(4.016432e-01, 7.315888e-01, -3.313678e-05, 6.642877e-08 )); //HITRAN
282 iso(it_isotope, "68" , Qcoeff(-3.922253e+00, 1.551651e+00, -8.580045e-05, 1.716056e-07 )); //HITRAN
283 iso(it_isotope, "67" , Qcoeff(-2.757545e+01, 9.118689e+00, -7.483006e-04, 1.332269e-06 )); //HITRAN
284  iso(it_isotope, "CIAfunCKDMT100", Qcoeff( 0 ,0 ,0 ,0 ) );
285  iso(it_isotope, "v0v0CKDMT100", Qcoeff( 0 ,0 ,0 ,0 ) );
286  iso(it_isotope, "v1v0CKDMT100", Qcoeff( 0 ,0 ,0 ,0 ) );
287  iso(it_isotope, "SelfContStandardType", Qcoeff( 0 ,0 ,0 ,0 ) );
288  iso(it_isotope, "SelfContMPM93", Qcoeff( 0 ,0 ,0 ,0 ) );
289  iso(it_isotope, "SelfContPWR93", Qcoeff( 0 ,0 ,0 ,0 ) );
290  iso(it_isotope, "PWR98", Qcoeff( 0 ,0 ,0 ,0 ) );
291  iso(it_isotope, "PWR93", Qcoeff( 0 ,0 ,0 ,0 ) );
292  iso(it_isotope, "PWR88", Qcoeff( 0 ,0 ,0 ,0 ) );
293  iso(it_isotope, "MPM93", Qcoeff( 0 ,0 ,0 ,0 ) );
294  iso(it_isotope, "MPM92", Qcoeff( 0 ,0 ,0 ,0 ) );
295  iso(it_isotope, "MPM89", Qcoeff( 0 ,0 ,0 ,0 ) );
296  iso(it_isotope, "MPM87", Qcoeff( 0 ,0 ,0 ,0 ) );
297  iso(it_isotope, "MPM85", Qcoeff( 0 ,0 ,0 ,0 ) );
298 
299  // NO
300  // Coeff: 1 1 1
301  spec(it_species, it_isotope, "NO");
302  // Name c0 c1 c2 c3
303  // | | | | |
304 iso(it_isotope, "46" , Qcoeff(-5.824308e+01, 3.025484e+00, 4.976571e-03, -5.060093e-06 )); //HITRAN
305 iso(it_isotope, "56" , Qcoeff(-4.036081e+01, 2.091668e+00, 3.435242e-03, -3.490987e-06 )); //HITRAN
306 iso(it_isotope, "48" , Qcoeff(-6.255837e+01, 3.205744e+00, 5.176248e-03, -5.223151e-06 )); //HITRAN
307 
308  // SO2
309  // Coeff: 1 1 2 2
310  spec(it_species, it_isotope, "SO2");
311  // Name c0 c1 c2 c3
312  // | | | | |
313 iso(it_isotope, "626" , Qcoeff(-3.406710e+02, 1.214516e+01, 1.995262e-02, 5.157669e-05 )); //HITRAN
314 iso(it_isotope, "646" , Qcoeff(-3.389056e+02, 1.215747e+01, 2.023113e-02, 5.153272e-05 )); //HITRAN
315 iso(it_isotope, "636", Qcoeff( 5.8740E+02 ,1.2472E+01 ,2.9113E-01 ,-1.6236E-04) ); //JPl
316 iso(it_isotope, "628", Qcoeff( 3.1299E+02 ,6.6372E+00 ,1.5485E-01 ,-8.6343E-05) ); //JPl
317 
318 
319 
320  // NO2
321  // Coeff: 1
322  spec(it_species, it_isotope, "NO2");
323  // Name c0 c1 c2 c3
324  // | | | | |
325 iso(it_isotope, "646" , Qcoeff(-8.761726e+02, 2.829842e+01, 5.398242e-02, 5.194329e-05 )); //HITRAN
326 
327 
328 
329  // NH3
330  // Coeff: 1 1 2
331  spec(it_species, it_isotope, "NH3");
332  // Name c0 c1 c2 c3
333  // | | | | |
334 iso(it_isotope, "4111" , Qcoeff(-9.698124e+01, 3.402711e+00, 8.958578e-03, 1.157044e-06 )); //HITRAN
335 iso(it_isotope, "5111" , Qcoeff(-6.520038e+01, 2.279068e+00, 5.958356e-03, 8.170489e-07 )); //HITRAN
336  iso(it_isotope, "4112" , Qcoeff(9.278991e+00, 4.053839e+00, 3.148529e-02, -8.153125e-06 )); //JPL
337 
338 
339  // HNO3
340  // Coeff: 1
341  spec(it_species, it_isotope, "HNO3");
342  // Name c0 c1 c2 c3
343  // | | | | |
344 iso(it_isotope, "146" , Qcoeff(-3.402033e+04, 7.965238e+02, -2.403160e+00, 8.593868e-03 )); //HITRAN
345 
346 
347  // OH
348  // Coeff: 1 1 1
349  spec(it_species, it_isotope, "OH");
350  // Name c0 c1 c2 c3
351  // | | | | |
352 iso(it_isotope, "61" , Qcoeff(6.198722e+00, 1.870893e-01, 3.099551e-04, -3.229806e-07 )); //HITRAN
353 iso(it_isotope, "81" , Qcoeff(6.173190e+00, 1.884492e-01, 3.126020e-04, -3.263942e-07 )); //HITRAN
354 iso(it_isotope, "62" , Qcoeff(4.103720e+00, 5.095633e-01, 8.899807e-04, -9.103002e-07 )); //HITRAN
355 
356 
357  // HF
358  // Coeff: 1 2
359  spec(it_species, it_isotope, "HF");
360  // Name c0 c1 c2 c3
361  // | | | | |
362 iso(it_isotope, "19" , Qcoeff(1.472238e+00, 1.343685e-01, 3.150221e-06, -2.120225e-09 )); //HITRAN
363  iso(it_isotope, "29" , Qcoeff(3.375585e-01, 6.403473e-02, 3.134983e-07, -3.970786e-11 )); //JPL
364 
365 
366  // HCl
367  // Coeff: 1 1 2 2
368  spec(it_species, it_isotope, "HCl");
369  // Name c0 c1 c2 c3
370  // | | | | |
371 iso(it_isotope, "15" , Qcoeff(2.729314e+00, 5.328097e-01, 8.234868e-07, 5.619026e-09 )); //HITRAN
372 iso(it_isotope, "17" , Qcoeff(2.719350e+00, 5.335676e-01, 2.054102e-06, 2.061213e-09 )); //HITRAN
373  iso(it_isotope, "25" , Qcoeff(1.355208e+00, 5.155418e-01, 3.328246e-06, 1.718278e-12 )); //JPL
374  iso(it_isotope, "27" , Qcoeff(1.359929e+00, 5.170804e-01, 3.358101e-06, -1.087936e-11 )); //JPL
375 
376 
377 
378  // HBr
379  // Coeff: 1 1
380  spec(it_species, it_isotope, "HBr");
381  // Name c0 c1 c2 c3
382  // | | | | |
383 iso(it_isotope, "19" , Qcoeff(2.936148e+00, 6.629899e-01, 1.604872e-05, -1.593934e-08 )); //HITRAN
384 iso(it_isotope, "11" , Qcoeff(2.875136e+00, 6.637710e-01, 1.449833e-05, -1.498201e-08 )); //HITRAN
385 
386 
387  // HI
388  // Coeff: 1
389  spec(it_species, it_isotope, "HI");
390  // Name c0 c1 c2 c3
391  // | | | | |
392 iso(it_isotope, "17" , Qcoeff(4.226561e+00, 1.295818e+00, 1.611346e-05, -7.882228e-09 )); //HITRAN
393 
394 
395  // ClO
396  // Coeff: 1 1
397  spec(it_species, it_isotope, "ClO");
398  // Name c0 c1 c2 c3
399  // | | | | |
400 iso(it_isotope, "56" , Qcoeff(1.290486e+02, 6.369550e+00, 1.441861e-02, -1.211120e-07 )); //HITRAN
401 iso(it_isotope, "76" , Qcoeff(1.306461e+02, 6.492672e+00, 1.457301e-02, 1.142879e-07 )); //HITRAN
402 
403 
404  // OCS
405  // Coeff: 1 1 1 1 1
406  spec(it_species, it_isotope, "OCS");
407  // Name c0 c1 c2 c3
408  // | | | | |
409 iso(it_isotope, "622" , Qcoeff(1.199103e+01, 3.484349e+00, -3.172632e-03, 1.757090e-05 )); //HITRAN
410 iso(it_isotope, "624" , Qcoeff(1.055761e+01, 3.598837e+00, -3.406838e-03, 1.836238e-05 )); //HITRAN
411 iso(it_isotope, "632" , Qcoeff(3.246621e+01, 6.852374e+00, -5.819381e-03, 3.599002e-05 )); //HITRAN
412 iso(it_isotope, "623" , Qcoeff(4.848356e+01, 1.411918e+01, -1.292079e-02, 7.151233e-05 )); //HITRAN
413 iso(it_isotope, "822" , Qcoeff(1.444298e+01, 3.686311e+00, -3.307686e-03, 1.920205e-05 )); //HITRAN
414 
415 
416  // H2CO
417  // Coeff: 1 1 1 2 2
418  spec(it_species, it_isotope, "H2CO");
419  // Name c0 c1 c2 c3
420  // | | | | |
421 iso(it_isotope, "1126" , Qcoeff(-1.734031e+02, 5.682345e+00, 1.504875e-02, 7.509330e-07 )); //HITRAN
422 iso(it_isotope, "1136" , Qcoeff(-3.529337e+02, 1.160844e+01, 3.109193e-02, 1.153082e-06 )); //HITRAN
423 iso(it_isotope, "1128" , Qcoeff(-1.781662e+02, 5.905635e+00, 1.604851e-02, 3.936717e-07 )); //HITRAN
424  iso(it_isotope, "1226" , Qcoeff(-5.332528e+01, 2.914098e+00, 1.444437e-02, -6.565213e-06 )); //Jpl
425 iso(it_isotope, "2226" , Qcoeff(-2.847116e+02, 1.672849e+01, 8.661739e-02, -3.736935e-05 )); //Jpl
426 
427 
428 
429  // HOCl
430  // Coeff: 1 1
431  spec(it_species, it_isotope, "HOCl");
432  // Name c0 c1 c2 c3
433  // | | | | |
434 iso(it_isotope, "165" , Qcoeff(-1.219223e+03, 3.989396e+01, 7.529869e-02, 8.046020e-05 )); //HITRAN
435 iso(it_isotope, "167" , Qcoeff(-1.215084e+03, 4.025848e+01, 7.807742e-02, 7.992701e-05 )); //HITRAN
436 
437 
438  // N2
439  // Coeff: 1
440  spec(it_species, it_isotope, "N2");
441  // Name c0 c1 c2 c3
442  // | | | | |
443 iso(it_isotope, "44" , Qcoeff(1.704255e+00, 1.562748e+00, 2.437406e-05, -1.677703e-08 )); //HITRAN
444  iso(it_isotope, "SelfContMPM93", Qcoeff( 0 ,0 ,0 ,0 ) );
445  iso(it_isotope, "SelfContPWR93", Qcoeff( 0 ,0 ,0 ,0 ) );
446  iso(it_isotope, "SelfContStandardType", Qcoeff( 0 ,0 ,0 ,0 ) );
447  iso(it_isotope, "SelfContBorysow", Qcoeff( 0 ,0 ,0 ,0 ) );
448  iso(it_isotope, "CIArotCKDMT100", Qcoeff( 0 ,0 ,0 ,0 ) );
449  iso(it_isotope, "CIAfunCKDMT100", Qcoeff( 0 ,0 ,0 ,0 ) );
450  iso(it_isotope, "DryContATM01", Qcoeff( 0 ,0 ,0 ,0 ) );
451 
452 
453  // HCN
454  // Coeff: 1 1 1 2
455  spec(it_species, it_isotope, "HCN");
456  // Name c0 c1 c2 c3
457  // | | | | |
458 iso(it_isotope, "124" , Qcoeff(-5.935227e+00, 3.077616e+00, -2.476330e-03, 7.991253e-06 )); //HITRAN
459 iso(it_isotope, "134" , Qcoeff(-1.010578e+01, 6.290094e+00, -4.988065e-03, 1.641309e-05 )); //HITRAN
460 iso(it_isotope, "125" , Qcoeff(-3.253498e+00, 2.118761e+00, -1.680616e-03, 5.582555e-06 )); //HITRAN
461  iso(it_isotope, "224" , Qcoeff(6.626957e+01, 8.670873e-01, 3.148000e-03, -2.052228e-06 )); //JPL
462 
463 
464 
465  // CH3Cl
466  // Coeff: 1 1
467  spec(it_species, it_isotope, "CH3Cl");
468  // Name c0 c1 c2 c3
469  // | | | | |
470 iso(it_isotope, "215" , Qcoeff(-1.140936e+04, 3.073757e+02, 4.383730e-02, 1.249421e-03 )); //HITRAN
471 iso(it_isotope, "217" , Qcoeff(-1.159736e+04, 3.123035e+02, 4.438509e-02, 1.269305e-03 )); //HITRAN
472 
473 
474 
475  // H2O2
476  // Coeff: 1
477  spec(it_species, it_isotope, "H2O2");
478  // Name c0 c1 c2 c3
479  // | | | | |
480 iso(it_isotope, "1661" , Qcoeff(-3.865211e+02, 1.286868e+01, 3.910416e-02, 1.145394e-04 )); //HITRAN
481 
482 
483 
484 
485  // C2H2
486  // Coeff: 1 1
487  spec(it_species, it_isotope, "C2H2");
488  // Name c0 c1 c2 c3
489  // | | | | |
490 iso(it_isotope, "1221" , Qcoeff(-8.684002e+00, 1.453883e+00, -2.597724e-03, 8.482153e-06 ));//HITRAN
491 iso(it_isotope, "1231" , Qcoeff(-3.468599e+01, 5.815575e+00, -1.039390e-02, 3.393990e-05 ));//HITRAN
492 
493 
494 
495 
496  // C2H6
497  // Coeff: 1
498  spec(it_species, it_isotope, "C2H6");
499  // Name c0 c1 c2 c3
500  // | | | | |
501 iso(it_isotope, "1221" , Qcoeff(-9.118157e+03, 2.088364e+02, -4.404385e-01, 2.188428e-03 ));//HITRAN
502 
503 
504 
505  // PH3
506  // Coeff: 2
507  spec(it_species, it_isotope, "PH3");
508  // Name c0 c1 c2 c3
509  // | | | | |
510 iso(it_isotope, "1111" , Qcoeff(-2.426718e+02, 7.338849e+00, 1.131445e-02, 1.262244e-05 ));// JPL
511 
512 
513 
514  // COF2
515  // Coeff: 1
516  spec(it_species, it_isotope, "COF2");
517  // Name c0 c1 c2 c3
518  // | | | | |
519 iso(it_isotope, "269" , Qcoeff(-8.322642e+03, 2.144407e+02, -3.498616e-01, 1.755888e-03 ));//HITRAN
520 
521 
522 
523  // SF6
524  // Coeff: 1
525  spec(it_species, it_isotope, "SF6");
526  // Name c0 c1 c2 c3
527  // | | | | |
528 iso(it_isotope, "29" , Qcoeff(-1.668432e+06, 2.850128e+04, -1.561230e+02, 3.288986e-01 ));//HITRAN
529 
530 
531 
532  // H2S
533  // Coeff: 1 1 1 2
534  spec(it_species, it_isotope, "H2S");
535  // Name c0 c1 c2 c3
536  // | | | | |
537 
538 iso(it_isotope, "121" , Qcoeff(-2.308888e+01, 9.052647e-01, 3.237531e-03, -9.823621e-07 )); //HITRAN
539 iso(it_isotope, "141" , Qcoeff(-2.333981e+01, 9.102537e-01, 3.233485e-03, -9.665574e-07 )); //HITRAN
540 iso(it_isotope, "131" , Qcoeff(-9.329309e+01, 3.636877e+00, 1.291822e-02, -3.864368e-06 )); //HITRAN
541  iso(it_isotope, "122" , Qcoeff(-1.512671e+01, 6.851018e-01, 3.158080e-03, -1.563931e-06 )); //JPL
542 
543 
544  // HCOOH
545  // Coeff: 1 2 2 2
546  spec(it_species, it_isotope, "HCOOH");
547  // Name c0 c1 c2 c3
548  // | | | | |
549 iso(it_isotope, "1261" , Qcoeff(-4.370811e+03, 1.141311e+02, -1.217474e-01, 7.859656e-04 ));//HITRAN
550 iso(it_isotope, "1361" , Qcoeff(-4.910213e+03, 5.115094e+01, 3.433096e-02, -1.340898e-04 ));// JPL
551 iso(it_isotope, "2261" , Qcoeff(3.823001e+02, 5.455419e+00, 1.108040e-01, -5.086754e-06 ));// JPL
552 iso(it_isotope, "1262" , Qcoeff(8.193393e+02, 2.222546e+00, 1.070970e-01, 3.255965e-06 ));// JPL
553 
554 
555 
556 
557  // HO2
558  // Coeff: 1
559  spec(it_species, it_isotope, "HO2");
560  // Name c0 c1 c2 c3
561  // | | | | |
562 iso(it_isotope, "166" , Qcoeff(-2.341264e+02, 8.164256e+00, 2.506193e-02, -3.012599e-06 )); //HITRAN
563 
564 
565 
566  // O
567  // Coeff: 1
568  spec(it_species, it_isotope, "O");
569  // Name c0 c1 c2 c3
570  // | | | | |
571  iso(it_isotope, "6", Qcoeff( -1.0000E+00 ,0.0000E+00 ,0.0000E+00 ,0.0000E+00) ); //HITRAN
572 
573 
574 
575  // ClONO2
576  // Coeff: 1 1
577  spec(it_species, it_isotope, "ClONO2");
578  // Name c0 c1 c2 c3
579  // | | | | |
580 iso(it_isotope, "5646" , Qcoeff(-2.052890e+06, 3.638094e+04, -1.995279e+02, 5.224687e-01 ));//HITRAN
581 iso(it_isotope, "7646" , Qcoeff(-2.104484e+06, 3.729925e+04, -2.045781e+02, 5.357327e-01 ));//HITRAN
582 
583 
584  // NO+
585  // Coeff: 1
586  spec(it_species, it_isotope, "NO+");
587  // Name c0 c1 c2 c3
588  // | | | | |
589 iso(it_isotope, "46" , Qcoeff(1.125969e+00, 1.047028e+00, 1.174546e-05, -1.519278e-08 ));//HITRAN
590 
591 
592 
593  // OClO
594  // Coeff: 2 2
595  spec(it_species, it_isotope, "OClO");
596  // Name c0 c1 c2 c3
597  // | | | | |
598 iso(it_isotope, "656" , Qcoeff(-1.617389e+03, 6.991068e+01, 5.003075e-01, -1.442758e-04 ));// JPL
599 iso(it_isotope, "676" , Qcoeff(7.964396e+02, 4.768587e+01, 5.283347e-01, -8.232128e-05 ));// JPL
600 
601 // The partition function for BrO is provided by Agned Perin, Orsay France!!!
602  // BrO
603  // Coeff: 3 3
604  spec(it_species, it_isotope, "BrO");
605  // Name c0 c1 c2 c3
606  // | | | | |
607 iso(it_isotope, "96" , Qcoeff(-4.084622e+01, 1.427999e+01, -1.011647e-02, 2.783630e-05 )); //HITRAN
608 iso(it_isotope, "16" , Qcoeff(-4.118468e+01, 1.434034e+01, -1.016302e-02, 2.795965e-05 )); //HITRAN
609 
610  // H2SO4
611  // Coeff: 2
612  spec(it_species, it_isotope, "H2SO4");
613  // Name c0 c1 c2 c3
614  // | | | | |
615 iso(it_isotope, "126" , Qcoeff(-5.913199e+03, 2.485770e+02, 1.140269e+00, -5.679165e-04 ));// JPL
616 
617 
618 
619  // Cl2O2
620  // Coeff: 2 2
621  spec(it_species, it_isotope, "Cl2O2");
622  // Name c0 c1 c2 c3
623  // | | | | |
624 iso(it_isotope, "565" , Qcoeff(6.215326e+05, -7.121447e+03, 2.784834e+01, 2.147458e-02 ));// JPL
625 iso(it_isotope, "765" , Qcoeff(6.399192e+05, -7.332314e+03, 2.866224e+01, 2.210953e-02 ));// JPL
626 
627 
628  // HOBr
629  // Coeff: 1 1
630  spec(it_species, it_isotope, "HOBr");
631  // Name c0 c1 c2 c3
632  // | | | | |
633 iso(it_isotope, "169" , Qcoeff(-1.665575e+03, 5.687767e+01, 9.982304e-02, 1.705212e-04 )); //HITRAN
634 iso(it_isotope, "161" , Qcoeff(-1.631140e+03, 5.625451e+01, 1.012339e-01, 1.676169e-04 )); //HITRAN
635 
636 
637 
638  // C2H4
639  // Coeff: 1 1
640  spec(it_species, it_isotope, "C2H4");
641  // Name c0 c1 c2 c3
642  // | | | | |
643 iso(it_isotope, "221" , Qcoeff(-1.379496e+03, 3.408740e+01, -2.321387e-02, 1.682474e-04 )); //HITRAN
644 iso(it_isotope, "231" , Qcoeff(-5.653328e+03, 1.396050e+02, -9.531910e-02, 6.891171e-04 )); //HITRAN
645 
646 
647  // CH3CN
648  // Coeff: 2 2 2 2 2
649  spec(it_species, it_isotope, "CH3CN");
650  // Name c0 c1 c2 c3
651  // | | | | |
652 iso(it_isotope, "211124" , Qcoeff(1.706820e+03, 1.093287e+00, 4.255850e-01, 3.367172e-05 ));// JPL
653 iso(it_isotope, "311124" , Qcoeff(-1.172596e+03, 4.973615e+01, 2.285735e-01, -1.135942e-04 ));// JPL
654 iso(it_isotope, "211134" , Qcoeff(-1.139329e+03, 4.832504e+01, 2.220882e-01, -1.103713e-04 ));// JPL
655 iso(it_isotope, "211125" , Qcoeff(-3.861117e+02, 1.654635e+01, 7.638250e-02, -3.776153e-05 ));// JPL
656 iso(it_isotope, "211224" , Qcoeff(-3.483734e+02, 1.464417e+01, 6.717486e-02, -3.345710e-05 ));// JPL
657 
658 
659  // HNC
660  // Coeff: 2 2 2 2
661  spec(it_species, it_isotope, "HNC");
662  // Name c0 c1 c2 c3
663  // | | | | |
664 iso(it_isotope, "142" , Qcoeff(3.333499e-01, 4.595243e-01, 1.502307e-06, 2.413631e-13 ));// JPL
665 iso(it_isotope, "143" , Qcoeff(7.032558e-02, 4.813463e-01, -6.651923e-06, -1.954964e-11 ));// JPL
666 iso(it_isotope, "152" , Qcoeff(1.589700e-01, 4.708129e-01, -3.866420e-06, 4.006830e-11 ));// JPL
667 iso(it_isotope, "242" , Qcoeff(2.865158e-01, 5.465990e-01, 2.142689e-07, 1.733211e-11 ));// JPL
668 
669  // particle
670  // Coeff: 1 1
671  spec(it_species, it_isotope, "liquidcloud");
672  // Name c0 c1 c2 c3
673  // | | | | |
674  iso(it_isotope, "MPM93", Qcoeff( 0 ,0 ,0 ,0 ) );
675 
676  // particle
677  // Coeff: 1 1
678  spec(it_species, it_isotope, "icecloud");
679  // Name c0 c1 c2 c3
680  // | | | | |
681  iso(it_isotope, "MPM93",Qcoeff( 0 ,0 ,0 ,0 ) );
682 
683  // particle
684  // Coeff: 1 1
685  spec(it_species, it_isotope, "rain");
686  // Name c0 c1 c2 c3
687  // | | | | |
688  iso(it_isotope, "MPM93",Qcoeff( 0 ,0 ,0 ,0 ) );
689 
690 }
691 
692 
693 void spec(Array<SpeciesRecord>::iterator& is,
694  Array<IsotopeRecord>::iterator& ii,
695  String name)
696 {
697 
698  assert( name == is->Name() );
699 
700  if (name == is->Name() ){}
701  ii = is->Isotope().begin();
702 
703  is++;
704 
705 }
706 
707 
708 void iso(Array<IsotopeRecord>::iterator& ii,
709  String name,
710  const ArrayOfNumeric& coeff)
711 {
712  assert( name == ii->Name() );
713 
714  if (name == ii->Name() ){}
715  ii->SetPartitionFctCoeff(coeff);
716 
717  ii++;
718 
719 }
absorption.h
Declarations required for the calculation of absorption coefficients.
spec
void spec(Array< SpeciesRecord >::iterator &is, Array< IsotopeRecord >::iterator &ii, String name)
Define partition function coefficients lookup data.
Definition: partition_function_data.cc:693
Qcoeff
#define Qcoeff
Definition: partition_function_data.cc:63
Array
This can be used to make arrays out of anything.
Definition: array.h:103
species_data
Array< SpeciesRecord > species_data
Definition: species_data.cc:40
my_basic_string
The implementation for String, the ARTS string class.
Definition: mystring.h:62
make_array.h
Implements the class MakeArray, which is a derived class of Array, allowing explicit initialization.
iso
void iso(Array< IsotopeRecord >::iterator &ii, String name, const ArrayOfNumeric &coeff)
Definition: partition_function_data.cc:708
define_partition_species_data
void define_partition_species_data()
Definition: partition_function_data.cc:160
arts.h
The global header file for ARTS.