ARTS: partition_function_data.cc Source File

00001 /* Copyright (C) 2000, 2001 Stefan Buehler <sbuehler@uni-bremen.de>,
00002                             Axel von Engeln <engeln@uni-bremen.de>
00003 
00004    This program is free software; you can redistribute it and/or modify it
00005    under the terms of the GNU General Public License as published by the
00006    Free Software Foundation; either version 2, or (at your option) any
00007    later version.
00008 
00009    This program is distributed in the hope that it will be useful,
00010    but WITHOUT ANY WARRANTY; without even the implied warranty of
00011    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
00012    GNU General Public License for more details.
00013 
00014    You should have received a copy of the GNU General Public License
00015    along with this program; if not, write to the Free Software
00016    Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307,
00017    USA. */
00018 
00034 #include "arts.h"
00035 #include "make_array.h"
00036 #include "absorption.h"
00037 
00038 /*
00039   Default values for a linear molecule:
00040 
00041   c0        c1       c2       c3
00042   0.0       1.0      0.0      0.0
00043 
00044   and for non linear molecules:
00045 
00046   c0        c1       c2           c3
00047   -76.2339  6.95356  1.30510e-07  -1.17068e-11
00048 
00049   Here we assumed that either
00050 
00051   linear: Q = T
00052   non-linear: Q = T^1.5
00053 
00054   These numbers are from Axel von Engeln, May 2005.
00055 */
00056 
00059 #define Qcoeff       MakeArray<Numeric>         
00060 
00061 
00062 
00146 void spec(Array<SpeciesRecord>::iterator& is,
00147           Array<IsotopeRecord>::iterator& ii,
00148           String name);
00149 
00150 void iso(Array<IsotopeRecord>::iterator& ii,
00151          String name,
00152          const ArrayOfNumeric& coeff);
00153 
00154 
00155 void define_partition_species_data()
00156 {
00157   extern Array<SpeciesRecord> species_data;
00158 
00159   Array<SpeciesRecord>::iterator it_species = species_data.begin();
00160   Array<IsotopeRecord>::iterator it_isotope;
00161 
00162 
00163   // H2O
00164   // Coeff:       1      1      1      1      1      1      2
00165   //
00166   // There are dummy entries here for the continuum tags. Of course,
00167   // continua need no partition functions, but the entries must be
00168   // present, so that the consistency check between species_data and
00169   // partition_function_data is successful. Thomas, you will also need
00170   // to add more dummy entries here in case you add more continuum tags.
00171   //
00172   // 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. 
00173   spec(it_species, it_isotope, "H2O");
00174   //                    Name            c0              c1              c2              c3
00175   //                    |               |               |               |               |
00176 iso(it_isotope, "161" , Qcoeff(-6.065594e+00,  2.907027e-01,  1.246245e-03,  -5.606119e-07 )); //HITRAN 
00177 iso(it_isotope, "181" , Qcoeff(-7.220624e+00,  2.945347e-01,  1.250362e-03,  -5.554638e-07 )); //HITRAN 
00178 iso(it_isotope, "171" , Qcoeff(-4.668105e+01,  1.819186e+00,  7.137470e-03,  -2.670352e-06 )); //HITRAN 
00179 iso(it_isotope, "162" , Qcoeff(-4.084466e+01,  1.484533e+00,  5.953330e-03,  -2.359695e-06 )); //HITRAN 
00180 iso(it_isotope, "182" , Qcoeff(-3.529770e+01,  1.503267e+00,  6.020059e-03,  -2.389284e-06 )); //HITRAN 
00181 iso(it_isotope, "172" , Qcoeff(-2.098457e+02,  8.959286e+00,  3.593721e-02,  -1.428880e-05 )); //HITRAN 
00182  iso(it_isotope,        "262" , Qcoeff(-3.572493e+01,  1.652500e+00,  7.633309e-03,  -3.770940e-06 )); // JPL
00183   iso(it_isotope,       "SelfContStandardType",      Qcoeff( 0  ,0              ,0              ,0          ) );
00184   iso(it_isotope,       "ForeignContStandardType",   Qcoeff( 0  ,0              ,0              ,0          ) );
00185   iso(it_isotope,       "ForeignContMaTippingType",  Qcoeff( 0  ,0              ,0              ,0          ) ); 
00186   iso(it_isotope,       "ContMPM93",               Qcoeff( 0    ,0              ,0              ,0          ) );
00187   iso(it_isotope,       "SelfContCKDMT100",        Qcoeff( 0    ,0              ,0              ,0          ) );
00188   iso(it_isotope,       "ForeignContCKDMT100",     Qcoeff( 0    ,0              ,0              ,0          ) );
00189   iso(it_isotope,       "SelfContCKD222",          Qcoeff( 0    ,0              ,0              ,0          ) );
00190   iso(it_isotope,       "ForeignContCKD222",       Qcoeff( 0    ,0              ,0              ,0          ) );
00191   iso(it_isotope,       "SelfContCKD242",          Qcoeff( 0    ,0              ,0              ,0          ) );
00192   iso(it_isotope,       "ForeignContCKD242",       Qcoeff( 0    ,0              ,0              ,0          ) );
00193   iso(it_isotope,       "SelfContCKD24",           Qcoeff( 0    ,0              ,0              ,0          ) );
00194   iso(it_isotope,       "ForeignContCKD24",        Qcoeff( 0    ,0              ,0              ,0          ) );
00195   iso(it_isotope,       "ForeignContATM01",        Qcoeff( 0    ,0              ,0              ,0          ) );
00196   iso(it_isotope,       "CP98", Qcoeff( 0       ,0              ,0              ,0          ) );
00197   iso(it_isotope,       "MPM87",Qcoeff( 0       ,0              ,0              ,0          ) );
00198   iso(it_isotope,       "MPM89",Qcoeff( 0       ,0              ,0              ,0          ) );
00199   iso(it_isotope,       "MPM93",Qcoeff( 0       ,0              ,0              ,0          ) );
00200   iso(it_isotope,       "PWR98",Qcoeff( 0       ,0              ,0              ,0          ) );
00201 
00202 
00203   // CO2
00204   // Coeff:       1      1      1      1      1      1      1      1
00205   spec(it_species, it_isotope, "CO2");
00206   //                    Name            c0              c1              c2              c3
00207   //                    |               |               |               |               |
00208 iso(it_isotope, "626" , Qcoeff(-1.720718e+00,  9.669217e-01,  -8.277298e-04,  2.891070e-06 )); //HITRAN 
00209 iso(it_isotope, "636" , Qcoeff(-1.850250e+00,  1.912107e+00,  -1.599677e-03,  5.955462e-06 )); //HITRAN 
00210 iso(it_isotope, "628" , Qcoeff(-2.989446e+00,  2.041095e+00,  -1.732748e-03,  6.174831e-06 )); //HITRAN 
00211 iso(it_isotope, "627" , Qcoeff(-2.256240e+01,  1.197737e+01,  -1.036863e-02,  3.618820e-05 )); //HITRAN 
00212 iso(it_isotope, "638" , Qcoeff(-1.882095e+00,  4.025528e+00,  -3.299047e-03,  1.266725e-05 )); //HITRAN 
00213 iso(it_isotope, "637" , Qcoeff(-1.788894e+01,  2.358158e+01,  -1.957976e-02,  7.389405e-05 )); //HITRAN 
00214 iso(it_isotope, "828" , Qcoeff(-1.818540e+00,  1.086818e+00,  -9.427241e-04,  3.352295e-06 )); //HITRAN 
00215 iso(it_isotope, "728" , Qcoeff(-2.087791e+01,  1.266486e+01,  -1.091287e-02,  3.874034e-05 )); //HITRAN 
00216 iso(it_isotope,       "CKD241",           Qcoeff( 0        ,0              ,0              ,0          ) );
00217 iso(it_isotope,       "CKDMT100",         Qcoeff( 0        ,0              ,0              ,0          ) );
00218 iso(it_isotope,       "SelfContPWR93",    Qcoeff( 0        ,0              ,0              ,0          ) );
00219 iso(it_isotope,       "ForeignContPWR93", Qcoeff( 0        ,0              ,0              ,0          ) );
00220 
00221 
00222 
00223   // O3
00224   // Coeff:       1      1      1      1      1
00225   spec(it_species, it_isotope, "O3");
00226   //                    Name            c0              c1              c2              c3
00227   //                    |               |               |               |               |
00228 iso(it_isotope, "666" , Qcoeff(-2.773214e+02,  8.175293e+00,  6.892651e-03,  2.842028e-05 )); //HITRAN 
00229 iso(it_isotope, "668" , Qcoeff(-5.978029e+02,  1.759117e+01,  1.353516e-02,  6.440030e-05 )); //HITRAN 
00230 iso(it_isotope, "686" , Qcoeff(-3.005190e+02,  8.726453e+00,  5.976672e-03,  3.241643e-05 )); //HITRAN 
00231 iso(it_isotope, "667" , Qcoeff(-3.454638e+03,  1.018144e+02,  8.249751e-02,  3.631247e-04 )); //HITRAN 
00232 iso(it_isotope, "676" , Qcoeff(-1.735693e+03,  5.072998e+01,  3.877763e-02,  1.821985e-04 )); //HITRAN 
00233 
00234 
00235 
00236   // N2O
00237   // Coeff:       1      1      1      1      1
00238   spec(it_species, it_isotope, "N2O");
00239   //                    Name            c0              c1              c2              c3
00240   //                    |               |               |               |               |
00241 iso(it_isotope, "446" , Qcoeff(3.478254e+01,  1.530195e+01,  -1.120080e-02,  5.472145e-05 )); //HITRAN 
00242 iso(it_isotope, "456" , Qcoeff(3.479618e+01,  1.002537e+01,  -6.789834e-03,  3.681093e-05 )); //HITRAN 
00243 iso(it_isotope, "546" , Qcoeff(2.435117e+01,  1.055152e+01,  -7.756090e-03,  3.819981e-05 )); //HITRAN 
00244 iso(it_isotope, "448" , Qcoeff(4.066999e+01,  1.615921e+01,  -1.180945e-02,  5.883212e-05 )); //HITRAN 
00245 iso(it_isotope, "447" , Qcoeff(2.050163e+02,  9.473303e+01,  -7.029656e-02,  3.426216e-04 )); //HITRAN 
00246 
00247 
00248   // CO
00249   // Coeff:       1      1      1      1      1      1
00250   spec(it_species, it_isotope, "CO");
00251   //                    Name            c0              c1              c2              c3
00252   //                    |               |               |               |               |
00253 iso(it_isotope, "26" ,  Qcoeff(3.243148e-01,  3.601229e-01,  1.538205e-06,  2.385704e-09 )); //HITRAN 
00254 iso(it_isotope, "36" ,  Qcoeff(4.632274e-01,  7.560062e-01,  -8.390593e-06,  2.229242e-08 )); //HITRAN 
00255 iso(it_isotope, "28" ,  Qcoeff(2.874382e-01,  3.786605e-01,  -5.551926e-07,  5.629838e-09 )); //HITRAN 
00256 iso(it_isotope, "27" ,  Qcoeff(1.697400e+00,  2.220079e+00,  -4.074631e-06,  3.291954e-08 )); //HITRAN 
00257 iso(it_isotope, "38" ,  Qcoeff(6.558005e-01,  7.928532e-01,  4.443750e-06,  3.520833e-09 )); //HITRAN 
00258 iso(it_isotope, "37" ,  Qcoeff(3.990599e+00,  4.641927e+00,  2.855732e-05,  1.499385e-08 )); //HITRAN 
00259 
00260   // CH4
00261   // Coeff:       1      1      1
00262   spec(it_species, it_isotope, "CH4");
00263   //                    Name            c0              c1              c2              c3
00264   //                    |               |               |               |               |
00265 iso(it_isotope, "211" , Qcoeff(-3.640461e+01,  1.202398e+00,  3.005684e-03,  2.911372e-07 )); //HITRAN 
00266 iso(it_isotope, "311" , Qcoeff(-7.385939e+01,  2.419567e+00,  5.941999e-03,  6.864449e-07 )); //HITRAN 
00267 iso(it_isotope, "212" , Qcoeff(-3.003903e+02,  9.769371e+00,  2.411804e-02,  2.704667e-06 )); //HITRAN 
00268 
00269 
00270 
00271   // O2
00272   // Coeff:       1      1      1
00273   spec(it_species, it_isotope, "O2");
00274   //                    Name            c0              c1              c2              c3
00275   //                    |               |               |               |               |
00276 iso(it_isotope, "66" ,  Qcoeff(4.016432e-01,  7.315888e-01,  -3.313678e-05,  6.642877e-08 )); //HITRAN 
00277 iso(it_isotope, "68" ,  Qcoeff(-3.922253e+00,  1.551651e+00,  -8.580045e-05,  1.716056e-07 )); //HITRAN 
00278 iso(it_isotope, "67" ,  Qcoeff(-2.757545e+01,  9.118689e+00,  -7.483006e-04,  1.332269e-06 )); //HITRAN 
00279   iso(it_isotope,       "CIAfunCKDMT100", Qcoeff( 0     ,0              ,0              ,0          ) );
00280   iso(it_isotope,       "v0v0CKDMT100",   Qcoeff( 0     ,0              ,0              ,0          ) );
00281   iso(it_isotope,       "v1v0CKDMT100",   Qcoeff( 0     ,0              ,0              ,0          ) );
00282   iso(it_isotope,       "SelfContStandardType",   Qcoeff( 0     ,0              ,0              ,0          ) );
00283   iso(it_isotope,       "SelfContMPM93",  Qcoeff( 0    ,0              ,0              ,0          ) );
00284   iso(it_isotope,       "SelfContPWR93",  Qcoeff( 0    ,0              ,0              ,0          ) );
00285   iso(it_isotope,       "PWR98",          Qcoeff( 0     ,0              ,0              ,0          ) );
00286   iso(it_isotope,       "PWR93",          Qcoeff( 0     ,0              ,0              ,0          ) );
00287   iso(it_isotope,       "PWR88",          Qcoeff( 0     ,0              ,0              ,0          ) );
00288   iso(it_isotope,       "MPM93",          Qcoeff( 0     ,0              ,0              ,0          ) );
00289   iso(it_isotope,       "MPM92",          Qcoeff( 0     ,0              ,0              ,0          ) );
00290   iso(it_isotope,       "MPM89",          Qcoeff( 0     ,0              ,0              ,0          ) );
00291   iso(it_isotope,       "MPM87",          Qcoeff( 0     ,0              ,0              ,0          ) );
00292   iso(it_isotope,       "MPM85",          Qcoeff( 0     ,0              ,0              ,0          ) );
00293 
00294   // NO
00295   // Coeff:       1      1      1
00296   spec(it_species, it_isotope, "NO");
00297   //                    Name            c0              c1              c2              c3
00298   //                    |               |               |               |               |
00299 iso(it_isotope, "46" ,  Qcoeff(-5.824308e+01,  3.025484e+00,  4.976571e-03,  -5.060093e-06 )); //HITRAN 
00300 iso(it_isotope, "56" ,  Qcoeff(-4.036081e+01,  2.091668e+00,  3.435242e-03,  -3.490987e-06 )); //HITRAN 
00301 iso(it_isotope, "48" ,  Qcoeff(-6.255837e+01,  3.205744e+00,  5.176248e-03,  -5.223151e-06 )); //HITRAN 
00302 
00303   // SO2
00304   // Coeff:       1      1      2      2
00305   spec(it_species, it_isotope, "SO2");
00306   //                    Name            c0              c1              c2              c3
00307   //                    |               |               |               |               |
00308 iso(it_isotope, "626" , Qcoeff(-3.406710e+02,  1.214516e+01,  1.995262e-02,  5.157669e-05 )); //HITRAN 
00309 iso(it_isotope, "646" , Qcoeff(-3.389056e+02,  1.215747e+01,  2.023113e-02,  5.153272e-05 )); //HITRAN 
00310 iso(it_isotope,       "636",  Qcoeff( 5.8740E+02      ,1.2472E+01     ,2.9113E-01     ,-1.6236E-04) ); //JPl
00311 iso(it_isotope,       "628",  Qcoeff( 3.1299E+02      ,6.6372E+00     ,1.5485E-01     ,-8.6343E-05) ); //JPl
00312 
00313 
00314 
00315   // NO2
00316   // Coeff:       1
00317   spec(it_species, it_isotope, "NO2");
00318   //                    Name            c0              c1              c2              c3
00319   //                    |               |               |               |               |
00320 iso(it_isotope, "646" , Qcoeff(-8.761726e+02,  2.829842e+01,  5.398242e-02,  5.194329e-05 ));  //HITRAN 
00321 
00322 
00323 
00324   // NH3
00325   // Coeff:       1      1      2
00326   spec(it_species, it_isotope, "NH3");
00327   //                    Name            c0              c1              c2              c3
00328   //                    |               |               |               |               |
00329 iso(it_isotope, "4111" ,        Qcoeff(-9.698124e+01,  3.402711e+00,  8.958578e-03,  1.157044e-06 )); //HITRAN 
00330 iso(it_isotope, "5111" ,        Qcoeff(-6.520038e+01,  2.279068e+00,  5.958356e-03,  8.170489e-07 )); //HITRAN 
00331  iso(it_isotope,        "4112" ,        Qcoeff(9.278991e+00,  4.053839e+00,  3.148529e-02,  -8.153125e-06 )); //JPL
00332 
00333 
00334   // HNO3
00335   // Coeff:       1
00336   spec(it_species, it_isotope, "HNO3");
00337   //                    Name            c0              c1              c2              c3
00338   //                    |               |               |               |               |
00339 iso(it_isotope, "146" , Qcoeff(-3.402033e+04,  7.965238e+02,  -2.403160e+00,  8.593868e-03 )); //HITRAN 
00340 
00341 
00342   // OH
00343   // Coeff:       1      1      1
00344   spec(it_species, it_isotope, "OH");
00345   //                    Name            c0              c1              c2              c3
00346   //                    |               |               |               |               |
00347 iso(it_isotope, "61" ,  Qcoeff(6.198722e+00,  1.870893e-01,  3.099551e-04,  -3.229806e-07 )); //HITRAN 
00348 iso(it_isotope, "81" ,  Qcoeff(6.173190e+00,  1.884492e-01,  3.126020e-04,  -3.263942e-07 )); //HITRAN 
00349 iso(it_isotope, "62" ,  Qcoeff(4.103720e+00,  5.095633e-01,  8.899807e-04,  -9.103002e-07 )); //HITRAN 
00350 
00351 
00352   // HF
00353   // Coeff:       1      2
00354   spec(it_species, it_isotope, "HF");
00355   //                    Name            c0              c1              c2              c3
00356   //                    |               |               |               |               |
00357 iso(it_isotope, "19" ,  Qcoeff(1.472238e+00,  1.343685e-01,  3.150221e-06,  -2.120225e-09 )); //HITRAN 
00358  iso(it_isotope,        "29" ,  Qcoeff(3.375585e-01,  6.403473e-02,  3.134983e-07,  -3.970786e-11 )); //JPL
00359 
00360 
00361   // HCl
00362   // Coeff:       1      1      2      2
00363   spec(it_species, it_isotope, "HCl");
00364   //                    Name            c0              c1              c2              c3
00365   //                    |               |               |               |               |
00366 iso(it_isotope, "15" ,  Qcoeff(2.729314e+00,  5.328097e-01,  8.234868e-07,  5.619026e-09 )); //HITRAN 
00367 iso(it_isotope, "17" ,  Qcoeff(2.719350e+00,  5.335676e-01,  2.054102e-06,  2.061213e-09 )); //HITRAN 
00368  iso(it_isotope,        "25" ,  Qcoeff(1.355208e+00,  5.155418e-01,  3.328246e-06,  1.718278e-12 )); //JPL
00369  iso(it_isotope,        "27" ,  Qcoeff(1.359929e+00,  5.170804e-01,  3.358101e-06,  -1.087936e-11 )); //JPL
00370 
00371 
00372 
00373   // HBr
00374   // Coeff:       1      1
00375   spec(it_species, it_isotope, "HBr");
00376   //                    Name            c0              c1              c2              c3
00377   //                    |               |               |               |               |
00378 iso(it_isotope, "19" ,  Qcoeff(2.936148e+00,  6.629899e-01,  1.604872e-05,  -1.593934e-08 )); //HITRAN 
00379 iso(it_isotope, "11" ,  Qcoeff(2.875136e+00,  6.637710e-01,  1.449833e-05,  -1.498201e-08 )); //HITRAN 
00380 
00381 
00382   // HI
00383   // Coeff:       1
00384   spec(it_species, it_isotope, "HI");
00385   //                    Name            c0              c1              c2              c3
00386   //                    |               |               |               |               |
00387 iso(it_isotope, "17" ,  Qcoeff(4.226561e+00,  1.295818e+00,  1.611346e-05,  -7.882228e-09 )); //HITRAN 
00388 
00389 
00390   // ClO
00391   // Coeff:       1      1
00392   spec(it_species, it_isotope, "ClO");
00393   //                    Name            c0              c1              c2              c3
00394   //                    |               |               |               |               |
00395 iso(it_isotope, "56" ,  Qcoeff(1.290486e+02,  6.369550e+00,  1.441861e-02,  -1.211120e-07 )); //HITRAN 
00396 iso(it_isotope, "76" ,  Qcoeff(1.306461e+02,  6.492672e+00,  1.457301e-02,  1.142879e-07 )); //HITRAN
00397 
00398 
00399   // OCS
00400   // Coeff:       1      1      1      1      1
00401   spec(it_species, it_isotope, "OCS");
00402   //                    Name            c0              c1              c2              c3
00403   //                    |               |               |               |               |
00404 iso(it_isotope, "622" , Qcoeff(1.199103e+01,  3.484349e+00,  -3.172632e-03,  1.757090e-05 )); //HITRAN 
00405 iso(it_isotope, "624" , Qcoeff(1.055761e+01,  3.598837e+00,  -3.406838e-03,  1.836238e-05 )); //HITRAN 
00406 iso(it_isotope, "632" , Qcoeff(3.246621e+01,  6.852374e+00,  -5.819381e-03,  3.599002e-05 )); //HITRAN 
00407 iso(it_isotope, "623" , Qcoeff(4.848356e+01,  1.411918e+01,  -1.292079e-02,  7.151233e-05 )); //HITRAN 
00408 iso(it_isotope, "822" , Qcoeff(1.444298e+01,  3.686311e+00,  -3.307686e-03,  1.920205e-05 )); //HITRAN 
00409 
00410 
00411   // H2CO
00412   // Coeff:       1      1      1      2      2
00413  spec(it_species, it_isotope, "H2CO");
00414   //                    Name            c0              c1              c2              c3
00415   //                    |               |               |               |               |
00416 iso(it_isotope, "1126" ,        Qcoeff(-1.734031e+02,  5.682345e+00,  1.504875e-02,  7.509330e-07 )); //HITRAN 
00417 iso(it_isotope, "1136" ,        Qcoeff(-3.529337e+02,  1.160844e+01,  3.109193e-02,  1.153082e-06 )); //HITRAN 
00418 iso(it_isotope, "1128" ,        Qcoeff(-1.781662e+02,  5.905635e+00,  1.604851e-02,  3.936717e-07 )); //HITRAN 
00419  iso(it_isotope,        "1226" ,        Qcoeff(-5.332528e+01,  2.914098e+00,  1.444437e-02,  -6.565213e-06 )); //Jpl
00420 iso(it_isotope, "2226" ,        Qcoeff(-2.847116e+02,  1.672849e+01,  8.661739e-02,  -3.736935e-05 )); //Jpl
00421 
00422 
00423 
00424   // HOCl
00425   // Coeff:       1      1
00426   spec(it_species, it_isotope, "HOCl");
00427   //                    Name            c0              c1              c2              c3
00428   //                    |               |               |               |               |
00429 iso(it_isotope, "165" , Qcoeff(-1.219223e+03,  3.989396e+01,  7.529869e-02,  8.046020e-05 )); //HITRAN 
00430 iso(it_isotope, "167" , Qcoeff(-1.215084e+03,  4.025848e+01,  7.807742e-02,  7.992701e-05 )); //HITRAN 
00431 
00432 
00433   // N2
00434   // Coeff:       1
00435   spec(it_species, it_isotope, "N2");
00436   //                    Name            c0              c1              c2              c3
00437   //                    |               |               |               |               |
00438 iso(it_isotope, "44" ,  Qcoeff(1.704255e+00,  1.562748e+00,  2.437406e-05,  -1.677703e-08 )); //HITRAN 
00439   iso(it_isotope,       "SelfContMPM93",        Qcoeff( 0       ,0              ,0              ,0   ) );
00440   iso(it_isotope,       "SelfContPWR93",        Qcoeff( 0       ,0              ,0              ,0   ) );
00441   iso(it_isotope,       "SelfContStandardType", Qcoeff( 0       ,0              ,0              ,0   ) );
00442   iso(it_isotope,       "SelfContBorysow",      Qcoeff( 0       ,0              ,0              ,0   ) );
00443   iso(it_isotope,       "CIArotCKDMT100",       Qcoeff( 0       ,0              ,0              ,0   ) );
00444   iso(it_isotope,       "CIAfunCKDMT100",       Qcoeff( 0       ,0              ,0              ,0   ) );
00445   iso(it_isotope,       "DryContATM01",         Qcoeff( 0       ,0              ,0              ,0   ) );
00446 
00447 
00448   // HCN
00449   // Coeff:       1      1      1      2
00450   spec(it_species, it_isotope, "HCN");
00451   //                    Name            c0              c1              c2              c3
00452   //                    |               |               |               |               |
00453 iso(it_isotope, "124" , Qcoeff(-5.935227e+00,  3.077616e+00,  -2.476330e-03,  7.991253e-06 )); //HITRAN 
00454 iso(it_isotope, "134" , Qcoeff(-1.010578e+01,  6.290094e+00,  -4.988065e-03,  1.641309e-05 )); //HITRAN 
00455 iso(it_isotope, "125" , Qcoeff(-3.253498e+00,  2.118761e+00,  -1.680616e-03,  5.582555e-06 )); //HITRAN 
00456  iso(it_isotope,        "224" , Qcoeff(6.626957e+01,  8.670873e-01,  3.148000e-03,  -2.052228e-06 )); //JPL
00457  
00458 
00459 
00460   // CH3Cl
00461   // Coeff:       1      1
00462   spec(it_species, it_isotope, "CH3Cl");
00463   //                    Name            c0              c1              c2              c3
00464   //                    |               |               |               |               |
00465 iso(it_isotope, "215" , Qcoeff(-1.140936e+04,  3.073757e+02,  4.383730e-02,  1.249421e-03 )); //HITRAN 
00466 iso(it_isotope, "217" , Qcoeff(-1.159736e+04,  3.123035e+02,  4.438509e-02,  1.269305e-03 )); //HITRAN 
00467 
00468 
00469 
00470   // H2O2
00471   // Coeff:       1
00472   spec(it_species, it_isotope, "H2O2");
00473   //                    Name            c0              c1              c2              c3
00474   //                    |               |               |               |               |
00475 iso(it_isotope, "1661" ,        Qcoeff(-3.865211e+02,  1.286868e+01,  3.910416e-02,  1.145394e-04 )); //HITRAN 
00476  
00477 
00478 
00479 
00480   // C2H2
00481   // Coeff:       1      1
00482   spec(it_species, it_isotope, "C2H2");
00483   //                    Name            c0              c1              c2              c3
00484   //                    |               |               |               |               |
00485 iso(it_isotope, "1221" ,        Qcoeff(-8.684002e+00,  1.453883e+00,  -2.597724e-03,  8.482153e-06 ));//HITRAN 
00486 iso(it_isotope, "1231" ,        Qcoeff(-3.468599e+01,  5.815575e+00,  -1.039390e-02,  3.393990e-05 ));//HITRAN 
00487  
00488 
00489 
00490 
00491   // C2H6
00492   // Coeff:       1
00493   spec(it_species, it_isotope, "C2H6");
00494   //                    Name            c0              c1              c2              c3
00495   //                    |               |               |               |               |
00496 iso(it_isotope, "1221" ,        Qcoeff(-9.118157e+03,  2.088364e+02,  -4.404385e-01,  2.188428e-03 ));//HITRAN 
00497 
00498 
00499 
00500   // PH3
00501   // Coeff:       2
00502   spec(it_species, it_isotope, "PH3");
00503   //                    Name            c0              c1              c2              c3
00504   //                    |               |               |               |               |
00505 iso(it_isotope, "1111" ,        Qcoeff(-2.426718e+02,  7.338849e+00,  1.131445e-02,  1.262244e-05 ));// JPL 
00506 
00507 
00508 
00509   // COF2
00510   // Coeff:       1
00511   spec(it_species, it_isotope, "COF2");
00512   //                    Name            c0              c1              c2              c3
00513   //                    |               |               |               |               |
00514 iso(it_isotope, "269" , Qcoeff(-8.322642e+03,  2.144407e+02,  -3.498616e-01,  1.755888e-03 ));//HITRAN 
00515 
00516 
00517 
00518   // SF6
00519   // Coeff:       1
00520   spec(it_species, it_isotope, "SF6");
00521   //                    Name            c0              c1              c2              c3
00522   //                    |               |               |               |               |
00523 iso(it_isotope, "29" ,  Qcoeff(-1.668432e+06,  2.850128e+04,  -1.561230e+02,  3.288986e-01 ));//HITRAN 
00524 
00525 
00526 
00527   // H2S
00528   // Coeff:       1      1      1      2
00529   spec(it_species, it_isotope, "H2S");
00530   //                    Name            c0              c1              c2              c3
00531   //                    |               |               |               |               |
00532 
00533 iso(it_isotope, "121" , Qcoeff(-2.308888e+01,  9.052647e-01,  3.237531e-03,  -9.823621e-07 )); //HITRAN 
00534 iso(it_isotope, "141" , Qcoeff(-2.333981e+01,  9.102537e-01,  3.233485e-03,  -9.665574e-07 )); //HITRAN 
00535 iso(it_isotope, "131" , Qcoeff(-9.329309e+01,  3.636877e+00,  1.291822e-02,  -3.864368e-06 )); //HITRAN 
00536  iso(it_isotope,        "122" , Qcoeff(-1.512671e+01,  6.851018e-01,  3.158080e-03,  -1.563931e-06 )); //JPL
00537 
00538 
00539   // HCOOH
00540   // Coeff:       1      2      2      2
00541   spec(it_species, it_isotope, "HCOOH");
00542   //                    Name            c0              c1              c2              c3
00543   //                    |               |               |               |               |
00544 iso(it_isotope, "1261" ,        Qcoeff(-4.370811e+03,  1.141311e+02,  -1.217474e-01,  7.859656e-04 ));//HITRAN 
00545 iso(it_isotope, "1361" ,        Qcoeff(-4.910213e+03,  5.115094e+01,  3.433096e-02,  -1.340898e-04 ));// JPL 
00546 iso(it_isotope, "2261" ,        Qcoeff(3.823001e+02,  5.455419e+00,  1.108040e-01,  -5.086754e-06 ));// JPL 
00547 iso(it_isotope, "1262" ,        Qcoeff(8.193393e+02,  2.222546e+00,  1.070970e-01,  3.255965e-06 ));// JPL 
00548 
00549 
00550 
00551 
00552   // HO2
00553   // Coeff:       1
00554   spec(it_species, it_isotope, "HO2");
00555   //                    Name            c0              c1              c2              c3
00556   //                    |               |               |               |               |
00557 iso(it_isotope, "166" , Qcoeff(-2.341264e+02,  8.164256e+00,  2.506193e-02,  -3.012599e-06 )); //HITRAN 
00558 
00559 
00560 
00561   // O
00562   // Coeff:       1
00563   spec(it_species, it_isotope, "O");
00564   //                    Name            c0              c1              c2              c3
00565   //                    |               |               |               |               |
00566   iso(it_isotope,       "6",    Qcoeff( -1.0000E+00     ,0.0000E+00     ,0.0000E+00     ,0.0000E+00) ); //HITRAN 
00567 
00568 
00569 
00570   // ClONO2
00571   // Coeff:       1      1
00572   spec(it_species, it_isotope, "ClONO2");
00573   //                    Name            c0              c1              c2              c3
00574   //                    |               |               |               |               |
00575 iso(it_isotope, "5646" ,        Qcoeff(-2.052890e+06,  3.638094e+04,  -1.995279e+02,  5.224687e-01 ));//HITRAN 
00576 iso(it_isotope, "7646" ,        Qcoeff(-2.104484e+06,  3.729925e+04,  -2.045781e+02,  5.357327e-01 ));//HITRAN 
00577 
00578 
00579   // NO+
00580   // Coeff:       1
00581   spec(it_species, it_isotope, "NO+");
00582   //                    Name            c0              c1              c2              c3
00583   //                    |               |               |               |               |
00584 iso(it_isotope, "46" ,  Qcoeff(1.125969e+00,  1.047028e+00,  1.174546e-05,  -1.519278e-08 ));//HITRAN 
00585 
00586 
00587 
00588   // OClO
00589   // Coeff:       2      2
00590   spec(it_species, it_isotope, "OClO");
00591   //                    Name            c0              c1              c2              c3
00592   //                    |               |               |               |               |
00593 iso(it_isotope, "656" , Qcoeff(-1.617389e+03,  6.991068e+01,  5.003075e-01,  -1.442758e-04 ));// JPL 
00594 iso(it_isotope, "676" , Qcoeff(7.964396e+02,  4.768587e+01,  5.283347e-01,  -8.232128e-05 ));// JPL  
00595 
00596 // The partition function for BrO is provided by Agned Perin, Orsay France!!!
00597   // BrO
00598   // Coeff:       3      3
00599   spec(it_species, it_isotope, "BrO");
00600   //                    Name            c0              c1              c2              c3
00601   //                    |               |               |               |               |
00602 iso(it_isotope, "96" ,  Qcoeff(-4.084622e+01,  1.427999e+01,  -1.011647e-02,  2.783630e-05 )); //HITRAN 
00603 iso(it_isotope, "16" ,  Qcoeff(-4.118468e+01,  1.434034e+01,  -1.016302e-02,  2.795965e-05 )); //HITRAN 
00604 
00605   // H2SO4
00606   // Coeff:       2
00607   spec(it_species, it_isotope, "H2SO4");
00608   //                    Name            c0              c1              c2              c3
00609   //                    |               |               |               |               |
00610 iso(it_isotope, "126" , Qcoeff(-5.913199e+03,  2.485770e+02,  1.140269e+00,  -5.679165e-04 ));// JPL 
00611 
00612 
00613 
00614   // Cl2O2
00615   // Coeff:       2      2
00616   spec(it_species, it_isotope, "Cl2O2");
00617   //                    Name            c0              c1              c2              c3
00618   //                    |               |               |               |               |
00619 iso(it_isotope, "565" , Qcoeff(6.215326e+05,  -7.121447e+03,  2.784834e+01,  2.147458e-02 ));// JPL
00620 iso(it_isotope, "765" , Qcoeff(6.399192e+05,  -7.332314e+03,  2.866224e+01,  2.210953e-02 ));// JPL
00621 
00622 
00623   // HOBr
00624   // Coeff:       1      1
00625   spec(it_species, it_isotope, "HOBr");
00626   //                    Name            c0              c1              c2              c3
00627   //                    |               |               |               |               |
00628 iso(it_isotope, "169" , Qcoeff(-1.665575e+03,  5.687767e+01,  9.982304e-02,  1.705212e-04 )); //HITRAN 
00629 iso(it_isotope, "161" , Qcoeff(-1.631140e+03,  5.625451e+01,  1.012339e-01,  1.676169e-04 )); //HITRAN 
00630 
00631 
00632 
00633   // C2H4
00634   // Coeff:       1      1
00635   spec(it_species, it_isotope, "C2H4");
00636   //                    Name            c0              c1              c2              c3
00637   //                    |               |               |               |               |
00638 iso(it_isotope, "221" , Qcoeff(-1.379496e+03,  3.408740e+01,  -2.321387e-02,  1.682474e-04 )); //HITRAN 
00639 iso(it_isotope, "231" , Qcoeff(-5.653328e+03,  1.396050e+02,  -9.531910e-02,  6.891171e-04 )); //HITRAN 
00640 
00641 
00642   // CH3CN
00643   // Coeff:       2      2      2      2      2
00644   spec(it_species, it_isotope, "CH3CN");
00645   //                    Name                    c0              c1              c2              c3
00646   //                    |                       |               |               |               |
00647 iso(it_isotope, "211124" ,      Qcoeff(1.706820e+03,  1.093287e+00,  4.255850e-01,  3.367172e-05 ));// JPL 
00648 iso(it_isotope, "311124" ,      Qcoeff(-1.172596e+03,  4.973615e+01,  2.285735e-01,  -1.135942e-04 ));// JPL  
00649 iso(it_isotope, "211134" ,      Qcoeff(-1.139329e+03,  4.832504e+01,  2.220882e-01,  -1.103713e-04 ));// JPL
00650 iso(it_isotope, "211125" ,      Qcoeff(-3.861117e+02,  1.654635e+01,  7.638250e-02,  -3.776153e-05 ));// JPL   
00651 iso(it_isotope, "211224" ,      Qcoeff(-3.483734e+02,  1.464417e+01,  6.717486e-02,  -3.345710e-05 ));// JPL  
00652 
00653 
00654   // HNC
00655   // Coeff:       2      2      2      2
00656   spec(it_species, it_isotope, "HNC");
00657   //                    Name            c0              c1              c2              c3
00658   //                    |               |               |               |               |
00659 iso(it_isotope, "142" , Qcoeff(3.333499e-01,  4.595243e-01,  1.502307e-06,  2.413631e-13 ));// JPL 
00660 iso(it_isotope, "143" , Qcoeff(7.032558e-02,  4.813463e-01,  -6.651923e-06,  -1.954964e-11 ));// JPL  
00661 iso(it_isotope, "152" , Qcoeff(1.589700e-01,  4.708129e-01,  -3.866420e-06,  4.006830e-11 ));// JPL  
00662 iso(it_isotope, "242" , Qcoeff(2.865158e-01,  5.465990e-01,  2.142689e-07,  1.733211e-11 ));// JPL  
00663 
00664   // particle
00665   // Coeff:       1      1
00666   spec(it_species, it_isotope, "liquidcloud");
00667   //                    Name            c0              c1              c2              c3
00668   //                    |               |               |               |               |
00669   iso(it_isotope,       "MPM93", Qcoeff( 0      ,0              ,0              ,0  ) );
00670 
00671   // particle
00672   // Coeff:       1      1
00673   spec(it_species, it_isotope, "icecloud");
00674   //                    Name            c0              c1              c2              c3
00675   //                    |               |               |               |               |
00676   iso(it_isotope,       "MPM93",Qcoeff( 0              ,0               ,0              ,0  ) );
00677 
00678   // particle
00679   // Coeff:       1      1
00680   spec(it_species, it_isotope, "rain");
00681   //                    Name            c0              c1              c2              c3
00682   //                    |               |               |               |               |
00683   iso(it_isotope,       "MPM93",Qcoeff( 0              ,0               ,0              ,0  ) );
00684 
00685 }
00686 
00687 
00688 void spec(Array<SpeciesRecord>::iterator& is,
00689           Array<IsotopeRecord>::iterator& ii,
00690           String name)
00691 {
00692   
00693 #ifndef NDEBUG
00694   {
00695     assert( name == is->Name() );
00696   }
00697 #endif
00698 
00699   ii = is->Isotope().begin();
00700 
00701   is++;
00702 
00703 }
00704 
00705 
00706 void iso(Array<IsotopeRecord>::iterator& ii,
00707          String name,
00708          const ArrayOfNumeric& coeff)
00709 {
00710 #ifndef NDEBUG
00711   {
00712     assert( name == ii->Name() );
00713   }
00714 #endif
00715 
00716   ii->SetPartitionFctCoeff(coeff);
00717 
00718   ii++;
00719 
00720 }