ARTS: partition_function_data.cc Source File

00001 /* Copyright (C) 2000-2008
00002    Stefan Buehler <sbuehler@ltu.se>,
00003    Axel von Engeln <engeln@uni-bremen.de>,
00004    Carmen Verdes <cverdes@uni-bremen.de>
00005 
00006    This program is free software; you can redistribute it and/or modify it
00007    under the terms of the GNU General Public License as published by the
00008    Free Software Foundation; either version 2, or (at your option) any
00009    later version.
00010 
00011    This program is distributed in the hope that it will be useful,
00012    but WITHOUT ANY WARRANTY; without even the implied warranty of
00013    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
00014    GNU General Public License for more details.
00015 
00016    You should have received a copy of the GNU General Public License
00017    along with this program; if not, write to the Free Software
00018    Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307,
00019    USA. */
00020 
00038 #include "arts.h"
00039 #include "make_array.h"
00040 #include "absorption.h"
00041 
00042 /*
00043   Default values for a linear molecule:
00044 
00045   c0        c1       c2       c3
00046   0.0       1.0      0.0      0.0
00047 
00048   and for non linear molecules:
00049 
00050   c0        c1       c2           c3
00051   -76.2339  6.95356  1.30510e-07  -1.17068e-11
00052 
00053   Here we assumed that either
00054 
00055   linear: Q = T
00056   non-linear: Q = T^1.5
00057 
00058   These numbers are from Axel von Engeln, May 2005.
00059 */
00060 
00063 #define Qcoeff       MakeArray<Numeric>         
00064 
00065 
00066 
00151 void spec(Array<SpeciesRecord>::iterator& is,
00152           Array<IsotopeRecord>::iterator& ii,
00153           String name);
00154 
00155 void iso(Array<IsotopeRecord>::iterator& ii,
00156          String name,
00157          const ArrayOfNumeric& coeff);
00158 
00159 
00160 void define_partition_species_data()
00161 {
00162   extern Array<SpeciesRecord> species_data;
00163 
00164   Array<SpeciesRecord>::iterator it_species = species_data.begin();
00165   Array<IsotopeRecord>::iterator it_isotope;
00166 
00167 
00168   // H2O
00169   // Coeff:       1      1      1      1      1      1      2
00170   //
00171   // There are dummy entries here for the continuum tags. Of course,
00172   // continua need no partition functions, but the entries must be
00173   // present, so that the consistency check between species_data and
00174   // partition_function_data is successful. Thomas, you will also need
00175   // to add more dummy entries here in case you add more continuum tags.
00176   //
00177   // 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. 
00178   spec(it_species, it_isotope, "H2O");
00179   //                    Name            c0              c1              c2              c3
00180   //                    |               |               |               |               |
00181 iso(it_isotope, "161" , Qcoeff(-6.065594e+00,  2.907027e-01,  1.246245e-03,  -5.606119e-07 )); //HITRAN 
00182 iso(it_isotope, "181" , Qcoeff(-7.220624e+00,  2.945347e-01,  1.250362e-03,  -5.554638e-07 )); //HITRAN 
00183 iso(it_isotope, "171" , Qcoeff(-4.668105e+01,  1.819186e+00,  7.137470e-03,  -2.670352e-06 )); //HITRAN 
00184 iso(it_isotope, "162" , Qcoeff(-4.084466e+01,  1.484533e+00,  5.953330e-03,  -2.359695e-06 )); //HITRAN 
00185 iso(it_isotope, "182" , Qcoeff(-3.529770e+01,  1.503267e+00,  6.020059e-03,  -2.389284e-06 )); //HITRAN 
00186 iso(it_isotope, "172" , Qcoeff(-2.098457e+02,  8.959286e+00,  3.593721e-02,  -1.428880e-05 )); //HITRAN 
00187  iso(it_isotope,        "262" , Qcoeff(-3.572493e+01,  1.652500e+00,  7.633309e-03,  -3.770940e-06 )); // JPL
00188   iso(it_isotope,       "SelfContStandardType",      Qcoeff( 0  ,0              ,0              ,0          ) );
00189   iso(it_isotope,       "ForeignContStandardType",   Qcoeff( 0  ,0              ,0              ,0          ) );
00190   iso(it_isotope,       "ForeignContMaTippingType",  Qcoeff( 0  ,0              ,0              ,0          ) ); 
00191   iso(it_isotope,       "ContMPM93",               Qcoeff( 0    ,0              ,0              ,0          ) );
00192   iso(it_isotope,       "SelfContCKDMT100",        Qcoeff( 0    ,0              ,0              ,0          ) );
00193   iso(it_isotope,       "ForeignContCKDMT100",     Qcoeff( 0    ,0              ,0              ,0          ) );
00194   iso(it_isotope,       "SelfContCKD222",          Qcoeff( 0    ,0              ,0              ,0          ) );
00195   iso(it_isotope,       "ForeignContCKD222",       Qcoeff( 0    ,0              ,0              ,0          ) );
00196   iso(it_isotope,       "SelfContCKD242",          Qcoeff( 0    ,0              ,0              ,0          ) );
00197   iso(it_isotope,       "ForeignContCKD242",       Qcoeff( 0    ,0              ,0              ,0          ) );
00198   iso(it_isotope,       "SelfContCKD24",           Qcoeff( 0    ,0              ,0              ,0          ) );
00199   iso(it_isotope,       "ForeignContCKD24",        Qcoeff( 0    ,0              ,0              ,0          ) );
00200   iso(it_isotope,       "ForeignContATM01",        Qcoeff( 0    ,0              ,0              ,0          ) );
00201   iso(it_isotope,       "CP98", Qcoeff( 0       ,0              ,0              ,0          ) );
00202   iso(it_isotope,       "MPM87",Qcoeff( 0       ,0              ,0              ,0          ) );
00203   iso(it_isotope,       "MPM89",Qcoeff( 0       ,0              ,0              ,0          ) );
00204   iso(it_isotope,       "MPM93",Qcoeff( 0       ,0              ,0              ,0          ) );
00205   iso(it_isotope,       "PWR98",Qcoeff( 0       ,0              ,0              ,0          ) );
00206 
00207 
00208   // CO2
00209   // Coeff:       1      1      1      1      1      1      1      1
00210   spec(it_species, it_isotope, "CO2");
00211   //                    Name            c0              c1              c2              c3
00212   //                    |               |               |               |               |
00213 iso(it_isotope, "626" , Qcoeff(-1.720718e+00,  9.669217e-01,  -8.277298e-04,  2.891070e-06 )); //HITRAN 
00214 iso(it_isotope, "636" , Qcoeff(-1.850250e+00,  1.912107e+00,  -1.599677e-03,  5.955462e-06 )); //HITRAN 
00215 iso(it_isotope, "628" , Qcoeff(-2.989446e+00,  2.041095e+00,  -1.732748e-03,  6.174831e-06 )); //HITRAN 
00216 iso(it_isotope, "627" , Qcoeff(-2.256240e+01,  1.197737e+01,  -1.036863e-02,  3.618820e-05 )); //HITRAN 
00217 iso(it_isotope, "638" , Qcoeff(-1.882095e+00,  4.025528e+00,  -3.299047e-03,  1.266725e-05 )); //HITRAN 
00218 iso(it_isotope, "637" , Qcoeff(-1.788894e+01,  2.358158e+01,  -1.957976e-02,  7.389405e-05 )); //HITRAN 
00219 iso(it_isotope, "828" , Qcoeff(-1.818540e+00,  1.086818e+00,  -9.427241e-04,  3.352295e-06 )); //HITRAN 
00220 iso(it_isotope, "728" , Qcoeff(-2.087791e+01,  1.266486e+01,  -1.091287e-02,  3.874034e-05 )); //HITRAN 
00221 iso(it_isotope,       "CKD241",           Qcoeff( 0        ,0              ,0              ,0          ) );
00222 iso(it_isotope,       "CKDMT100",         Qcoeff( 0        ,0              ,0              ,0          ) );
00223 iso(it_isotope,       "SelfContPWR93",    Qcoeff( 0        ,0              ,0              ,0          ) );
00224 iso(it_isotope,       "ForeignContPWR93", Qcoeff( 0        ,0              ,0              ,0          ) );
00225 
00226 
00227 
00228   // O3
00229   // Coeff:       1      1      1      1      1
00230   spec(it_species, it_isotope, "O3");
00231   //                    Name            c0              c1              c2              c3
00232   //                    |               |               |               |               |
00233 iso(it_isotope, "666" , Qcoeff(-2.773214e+02,  8.175293e+00,  6.892651e-03,  2.842028e-05 )); //HITRAN 
00234 iso(it_isotope, "668" , Qcoeff(-5.978029e+02,  1.759117e+01,  1.353516e-02,  6.440030e-05 )); //HITRAN 
00235 iso(it_isotope, "686" , Qcoeff(-3.005190e+02,  8.726453e+00,  5.976672e-03,  3.241643e-05 )); //HITRAN 
00236 iso(it_isotope, "667" , Qcoeff(-3.454638e+03,  1.018144e+02,  8.249751e-02,  3.631247e-04 )); //HITRAN 
00237 iso(it_isotope, "676" , Qcoeff(-1.735693e+03,  5.072998e+01,  3.877763e-02,  1.821985e-04 )); //HITRAN 
00238 
00239 
00240 
00241   // N2O
00242   // Coeff:       1      1      1      1      1
00243   spec(it_species, it_isotope, "N2O");
00244   //                    Name            c0              c1              c2              c3
00245   //                    |               |               |               |               |
00246 iso(it_isotope, "446" , Qcoeff(3.478254e+01,  1.530195e+01,  -1.120080e-02,  5.472145e-05 )); //HITRAN 
00247 iso(it_isotope, "456" , Qcoeff(3.479618e+01,  1.002537e+01,  -6.789834e-03,  3.681093e-05 )); //HITRAN 
00248 iso(it_isotope, "546" , Qcoeff(2.435117e+01,  1.055152e+01,  -7.756090e-03,  3.819981e-05 )); //HITRAN 
00249 iso(it_isotope, "448" , Qcoeff(4.066999e+01,  1.615921e+01,  -1.180945e-02,  5.883212e-05 )); //HITRAN 
00250 iso(it_isotope, "447" , Qcoeff(2.050163e+02,  9.473303e+01,  -7.029656e-02,  3.426216e-04 )); //HITRAN 
00251 
00252 
00253   // CO
00254   // Coeff:       1      1      1      1      1      1
00255   spec(it_species, it_isotope, "CO");
00256   //                    Name            c0              c1              c2              c3
00257   //                    |               |               |               |               |
00258 iso(it_isotope, "26" ,  Qcoeff(3.243148e-01,  3.601229e-01,  1.538205e-06,  2.385704e-09 )); //HITRAN 
00259 iso(it_isotope, "36" ,  Qcoeff(4.632274e-01,  7.560062e-01,  -8.390593e-06,  2.229242e-08 )); //HITRAN 
00260 iso(it_isotope, "28" ,  Qcoeff(2.874382e-01,  3.786605e-01,  -5.551926e-07,  5.629838e-09 )); //HITRAN 
00261 iso(it_isotope, "27" ,  Qcoeff(1.697400e+00,  2.220079e+00,  -4.074631e-06,  3.291954e-08 )); //HITRAN 
00262 iso(it_isotope, "38" ,  Qcoeff(6.558005e-01,  7.928532e-01,  4.443750e-06,  3.520833e-09 )); //HITRAN 
00263 iso(it_isotope, "37" ,  Qcoeff(3.990599e+00,  4.641927e+00,  2.855732e-05,  1.499385e-08 )); //HITRAN 
00264 
00265   // CH4
00266   // Coeff:       1      1      1
00267   spec(it_species, it_isotope, "CH4");
00268   //                    Name            c0              c1              c2              c3
00269   //                    |               |               |               |               |
00270 iso(it_isotope, "211" , Qcoeff(-3.640461e+01,  1.202398e+00,  3.005684e-03,  2.911372e-07 )); //HITRAN 
00271 iso(it_isotope, "311" , Qcoeff(-7.385939e+01,  2.419567e+00,  5.941999e-03,  6.864449e-07 )); //HITRAN 
00272 iso(it_isotope, "212" , Qcoeff(-3.003903e+02,  9.769371e+00,  2.411804e-02,  2.704667e-06 )); //HITRAN 
00273 
00274 
00275 
00276   // O2
00277   // Coeff:       1      1      1
00278   spec(it_species, it_isotope, "O2");
00279   //                    Name            c0              c1              c2              c3
00280   //                    |               |               |               |               |
00281 iso(it_isotope, "66" ,  Qcoeff(4.016432e-01,  7.315888e-01,  -3.313678e-05,  6.642877e-08 )); //HITRAN 
00282 iso(it_isotope, "68" ,  Qcoeff(-3.922253e+00,  1.551651e+00,  -8.580045e-05,  1.716056e-07 )); //HITRAN 
00283 iso(it_isotope, "67" ,  Qcoeff(-2.757545e+01,  9.118689e+00,  -7.483006e-04,  1.332269e-06 )); //HITRAN 
00284   iso(it_isotope,       "CIAfunCKDMT100", Qcoeff( 0     ,0              ,0              ,0          ) );
00285   iso(it_isotope,       "v0v0CKDMT100",   Qcoeff( 0     ,0              ,0              ,0          ) );
00286   iso(it_isotope,       "v1v0CKDMT100",   Qcoeff( 0     ,0              ,0              ,0          ) );
00287   iso(it_isotope,       "SelfContStandardType",   Qcoeff( 0     ,0              ,0              ,0          ) );
00288   iso(it_isotope,       "SelfContMPM93",  Qcoeff( 0    ,0              ,0              ,0          ) );
00289   iso(it_isotope,       "SelfContPWR93",  Qcoeff( 0    ,0              ,0              ,0          ) );
00290   iso(it_isotope,       "PWR98",          Qcoeff( 0     ,0              ,0              ,0          ) );
00291   iso(it_isotope,       "PWR93",          Qcoeff( 0     ,0              ,0              ,0          ) );
00292   iso(it_isotope,       "PWR88",          Qcoeff( 0     ,0              ,0              ,0          ) );
00293   iso(it_isotope,       "MPM93",          Qcoeff( 0     ,0              ,0              ,0          ) );
00294   iso(it_isotope,       "MPM92",          Qcoeff( 0     ,0              ,0              ,0          ) );
00295   iso(it_isotope,       "MPM89",          Qcoeff( 0     ,0              ,0              ,0          ) );
00296   iso(it_isotope,       "MPM87",          Qcoeff( 0     ,0              ,0              ,0          ) );
00297   iso(it_isotope,       "MPM85",          Qcoeff( 0     ,0              ,0              ,0          ) );
00298 
00299   // NO
00300   // Coeff:       1      1      1
00301   spec(it_species, it_isotope, "NO");
00302   //                    Name            c0              c1              c2              c3
00303   //                    |               |               |               |               |
00304 iso(it_isotope, "46" ,  Qcoeff(-5.824308e+01,  3.025484e+00,  4.976571e-03,  -5.060093e-06 )); //HITRAN 
00305 iso(it_isotope, "56" ,  Qcoeff(-4.036081e+01,  2.091668e+00,  3.435242e-03,  -3.490987e-06 )); //HITRAN 
00306 iso(it_isotope, "48" ,  Qcoeff(-6.255837e+01,  3.205744e+00,  5.176248e-03,  -5.223151e-06 )); //HITRAN 
00307 
00308   // SO2
00309   // Coeff:       1      1      2      2
00310   spec(it_species, it_isotope, "SO2");
00311   //                    Name            c0              c1              c2              c3
00312   //                    |               |               |               |               |
00313 iso(it_isotope, "626" , Qcoeff(-3.406710e+02,  1.214516e+01,  1.995262e-02,  5.157669e-05 )); //HITRAN 
00314 iso(it_isotope, "646" , Qcoeff(-3.389056e+02,  1.215747e+01,  2.023113e-02,  5.153272e-05 )); //HITRAN 
00315 iso(it_isotope,       "636",  Qcoeff( 5.8740E+02      ,1.2472E+01     ,2.9113E-01     ,-1.6236E-04) ); //JPl
00316 iso(it_isotope,       "628",  Qcoeff( 3.1299E+02      ,6.6372E+00     ,1.5485E-01     ,-8.6343E-05) ); //JPl
00317 
00318 
00319 
00320   // NO2
00321   // Coeff:       1
00322   spec(it_species, it_isotope, "NO2");
00323   //                    Name            c0              c1              c2              c3
00324   //                    |               |               |               |               |
00325 iso(it_isotope, "646" , Qcoeff(-8.761726e+02,  2.829842e+01,  5.398242e-02,  5.194329e-05 ));  //HITRAN 
00326 
00327 
00328 
00329   // NH3
00330   // Coeff:       1      1      2
00331   spec(it_species, it_isotope, "NH3");
00332   //                    Name            c0              c1              c2              c3
00333   //                    |               |               |               |               |
00334 iso(it_isotope, "4111" ,        Qcoeff(-9.698124e+01,  3.402711e+00,  8.958578e-03,  1.157044e-06 )); //HITRAN 
00335 iso(it_isotope, "5111" ,        Qcoeff(-6.520038e+01,  2.279068e+00,  5.958356e-03,  8.170489e-07 )); //HITRAN 
00336  iso(it_isotope,        "4112" ,        Qcoeff(9.278991e+00,  4.053839e+00,  3.148529e-02,  -8.153125e-06 )); //JPL
00337 
00338 
00339   // HNO3
00340   // Coeff:       1
00341   spec(it_species, it_isotope, "HNO3");
00342   //                    Name            c0              c1              c2              c3
00343   //                    |               |               |               |               |
00344 iso(it_isotope, "146" , Qcoeff(-3.402033e+04,  7.965238e+02,  -2.403160e+00,  8.593868e-03 )); //HITRAN 
00345 
00346 
00347   // OH
00348   // Coeff:       1      1      1
00349   spec(it_species, it_isotope, "OH");
00350   //                    Name            c0              c1              c2              c3
00351   //                    |               |               |               |               |
00352 iso(it_isotope, "61" ,  Qcoeff(6.198722e+00,  1.870893e-01,  3.099551e-04,  -3.229806e-07 )); //HITRAN 
00353 iso(it_isotope, "81" ,  Qcoeff(6.173190e+00,  1.884492e-01,  3.126020e-04,  -3.263942e-07 )); //HITRAN 
00354 iso(it_isotope, "62" ,  Qcoeff(4.103720e+00,  5.095633e-01,  8.899807e-04,  -9.103002e-07 )); //HITRAN 
00355 
00356 
00357   // HF
00358   // Coeff:       1      2
00359   spec(it_species, it_isotope, "HF");
00360   //                    Name            c0              c1              c2              c3
00361   //                    |               |               |               |               |
00362 iso(it_isotope, "19" ,  Qcoeff(1.472238e+00,  1.343685e-01,  3.150221e-06,  -2.120225e-09 )); //HITRAN 
00363  iso(it_isotope,        "29" ,  Qcoeff(3.375585e-01,  6.403473e-02,  3.134983e-07,  -3.970786e-11 )); //JPL
00364 
00365 
00366   // HCl
00367   // Coeff:       1      1      2      2
00368   spec(it_species, it_isotope, "HCl");
00369   //                    Name            c0              c1              c2              c3
00370   //                    |               |               |               |               |
00371 iso(it_isotope, "15" ,  Qcoeff(2.729314e+00,  5.328097e-01,  8.234868e-07,  5.619026e-09 )); //HITRAN 
00372 iso(it_isotope, "17" ,  Qcoeff(2.719350e+00,  5.335676e-01,  2.054102e-06,  2.061213e-09 )); //HITRAN 
00373  iso(it_isotope,        "25" ,  Qcoeff(1.355208e+00,  5.155418e-01,  3.328246e-06,  1.718278e-12 )); //JPL
00374  iso(it_isotope,        "27" ,  Qcoeff(1.359929e+00,  5.170804e-01,  3.358101e-06,  -1.087936e-11 )); //JPL
00375 
00376 
00377 
00378   // HBr
00379   // Coeff:       1      1
00380   spec(it_species, it_isotope, "HBr");
00381   //                    Name            c0              c1              c2              c3
00382   //                    |               |               |               |               |
00383 iso(it_isotope, "19" ,  Qcoeff(2.936148e+00,  6.629899e-01,  1.604872e-05,  -1.593934e-08 )); //HITRAN 
00384 iso(it_isotope, "11" ,  Qcoeff(2.875136e+00,  6.637710e-01,  1.449833e-05,  -1.498201e-08 )); //HITRAN 
00385 
00386 
00387   // HI
00388   // Coeff:       1
00389   spec(it_species, it_isotope, "HI");
00390   //                    Name            c0              c1              c2              c3
00391   //                    |               |               |               |               |
00392 iso(it_isotope, "17" ,  Qcoeff(4.226561e+00,  1.295818e+00,  1.611346e-05,  -7.882228e-09 )); //HITRAN 
00393 
00394 
00395   // ClO
00396   // Coeff:       1      1
00397   spec(it_species, it_isotope, "ClO");
00398   //                    Name            c0              c1              c2              c3
00399   //                    |               |               |               |               |
00400 iso(it_isotope, "56" ,  Qcoeff(1.290486e+02,  6.369550e+00,  1.441861e-02,  -1.211120e-07 )); //HITRAN 
00401 iso(it_isotope, "76" ,  Qcoeff(1.306461e+02,  6.492672e+00,  1.457301e-02,  1.142879e-07 )); //HITRAN
00402 
00403 
00404   // OCS
00405   // Coeff:       1      1      1      1      1
00406   spec(it_species, it_isotope, "OCS");
00407   //                    Name            c0              c1              c2              c3
00408   //                    |               |               |               |               |
00409 iso(it_isotope, "622" , Qcoeff(1.199103e+01,  3.484349e+00,  -3.172632e-03,  1.757090e-05 )); //HITRAN 
00410 iso(it_isotope, "624" , Qcoeff(1.055761e+01,  3.598837e+00,  -3.406838e-03,  1.836238e-05 )); //HITRAN 
00411 iso(it_isotope, "632" , Qcoeff(3.246621e+01,  6.852374e+00,  -5.819381e-03,  3.599002e-05 )); //HITRAN 
00412 iso(it_isotope, "623" , Qcoeff(4.848356e+01,  1.411918e+01,  -1.292079e-02,  7.151233e-05 )); //HITRAN 
00413 iso(it_isotope, "822" , Qcoeff(1.444298e+01,  3.686311e+00,  -3.307686e-03,  1.920205e-05 )); //HITRAN 
00414 
00415 
00416   // H2CO
00417   // Coeff:       1      1      1      2      2
00418  spec(it_species, it_isotope, "H2CO");
00419   //                    Name            c0              c1              c2              c3
00420   //                    |               |               |               |               |
00421 iso(it_isotope, "1126" ,        Qcoeff(-1.734031e+02,  5.682345e+00,  1.504875e-02,  7.509330e-07 )); //HITRAN 
00422 iso(it_isotope, "1136" ,        Qcoeff(-3.529337e+02,  1.160844e+01,  3.109193e-02,  1.153082e-06 )); //HITRAN 
00423 iso(it_isotope, "1128" ,        Qcoeff(-1.781662e+02,  5.905635e+00,  1.604851e-02,  3.936717e-07 )); //HITRAN 
00424  iso(it_isotope,        "1226" ,        Qcoeff(-5.332528e+01,  2.914098e+00,  1.444437e-02,  -6.565213e-06 )); //Jpl
00425 iso(it_isotope, "2226" ,        Qcoeff(-2.847116e+02,  1.672849e+01,  8.661739e-02,  -3.736935e-05 )); //Jpl
00426 
00427 
00428 
00429   // HOCl
00430   // Coeff:       1      1
00431   spec(it_species, it_isotope, "HOCl");
00432   //                    Name            c0              c1              c2              c3
00433   //                    |               |               |               |               |
00434 iso(it_isotope, "165" , Qcoeff(-1.219223e+03,  3.989396e+01,  7.529869e-02,  8.046020e-05 )); //HITRAN 
00435 iso(it_isotope, "167" , Qcoeff(-1.215084e+03,  4.025848e+01,  7.807742e-02,  7.992701e-05 )); //HITRAN 
00436 
00437 
00438   // N2
00439   // Coeff:       1
00440   spec(it_species, it_isotope, "N2");
00441   //                    Name            c0              c1              c2              c3
00442   //                    |               |               |               |               |
00443 iso(it_isotope, "44" ,  Qcoeff(1.704255e+00,  1.562748e+00,  2.437406e-05,  -1.677703e-08 )); //HITRAN 
00444   iso(it_isotope,       "SelfContMPM93",        Qcoeff( 0       ,0              ,0              ,0   ) );
00445   iso(it_isotope,       "SelfContPWR93",        Qcoeff( 0       ,0              ,0              ,0   ) );
00446   iso(it_isotope,       "SelfContStandardType", Qcoeff( 0       ,0              ,0              ,0   ) );
00447   iso(it_isotope,       "SelfContBorysow",      Qcoeff( 0       ,0              ,0              ,0   ) );
00448   iso(it_isotope,       "CIArotCKDMT100",       Qcoeff( 0       ,0              ,0              ,0   ) );
00449   iso(it_isotope,       "CIAfunCKDMT100",       Qcoeff( 0       ,0              ,0              ,0   ) );
00450   iso(it_isotope,       "DryContATM01",         Qcoeff( 0       ,0              ,0              ,0   ) );
00451 
00452 
00453   // HCN
00454   // Coeff:       1      1      1      2
00455   spec(it_species, it_isotope, "HCN");
00456   //                    Name            c0              c1              c2              c3
00457   //                    |               |               |               |               |
00458 iso(it_isotope, "124" , Qcoeff(-5.935227e+00,  3.077616e+00,  -2.476330e-03,  7.991253e-06 )); //HITRAN 
00459 iso(it_isotope, "134" , Qcoeff(-1.010578e+01,  6.290094e+00,  -4.988065e-03,  1.641309e-05 )); //HITRAN 
00460 iso(it_isotope, "125" , Qcoeff(-3.253498e+00,  2.118761e+00,  -1.680616e-03,  5.582555e-06 )); //HITRAN 
00461  iso(it_isotope,        "224" , Qcoeff(6.626957e+01,  8.670873e-01,  3.148000e-03,  -2.052228e-06 )); //JPL
00462  
00463 
00464 
00465   // CH3Cl
00466   // Coeff:       1      1
00467   spec(it_species, it_isotope, "CH3Cl");
00468   //                    Name            c0              c1              c2              c3
00469   //                    |               |               |               |               |
00470 iso(it_isotope, "215" , Qcoeff(-1.140936e+04,  3.073757e+02,  4.383730e-02,  1.249421e-03 )); //HITRAN 
00471 iso(it_isotope, "217" , Qcoeff(-1.159736e+04,  3.123035e+02,  4.438509e-02,  1.269305e-03 )); //HITRAN 
00472 
00473 
00474 
00475   // H2O2
00476   // Coeff:       1
00477   spec(it_species, it_isotope, "H2O2");
00478   //                    Name            c0              c1              c2              c3
00479   //                    |               |               |               |               |
00480 iso(it_isotope, "1661" ,        Qcoeff(-3.865211e+02,  1.286868e+01,  3.910416e-02,  1.145394e-04 )); //HITRAN 
00481  
00482 
00483 
00484 
00485   // C2H2
00486   // Coeff:       1      1
00487   spec(it_species, it_isotope, "C2H2");
00488   //                    Name            c0              c1              c2              c3
00489   //                    |               |               |               |               |
00490 iso(it_isotope, "1221" ,        Qcoeff(-8.684002e+00,  1.453883e+00,  -2.597724e-03,  8.482153e-06 ));//HITRAN 
00491 iso(it_isotope, "1231" ,        Qcoeff(-3.468599e+01,  5.815575e+00,  -1.039390e-02,  3.393990e-05 ));//HITRAN 
00492  
00493 
00494 
00495 
00496   // C2H6
00497   // Coeff:       1
00498   spec(it_species, it_isotope, "C2H6");
00499   //                    Name            c0              c1              c2              c3
00500   //                    |               |               |               |               |
00501 iso(it_isotope, "1221" ,        Qcoeff(-9.118157e+03,  2.088364e+02,  -4.404385e-01,  2.188428e-03 ));//HITRAN 
00502 
00503 
00504 
00505   // PH3
00506   // Coeff:       2
00507   spec(it_species, it_isotope, "PH3");
00508   //                    Name            c0              c1              c2              c3
00509   //                    |               |               |               |               |
00510 iso(it_isotope, "1111" ,        Qcoeff(-2.426718e+02,  7.338849e+00,  1.131445e-02,  1.262244e-05 ));// JPL 
00511 
00512 
00513 
00514   // COF2
00515   // Coeff:       1
00516   spec(it_species, it_isotope, "COF2");
00517   //                    Name            c0              c1              c2              c3
00518   //                    |               |               |               |               |
00519 iso(it_isotope, "269" , Qcoeff(-8.322642e+03,  2.144407e+02,  -3.498616e-01,  1.755888e-03 ));//HITRAN 
00520 
00521 
00522 
00523   // SF6
00524   // Coeff:       1
00525   spec(it_species, it_isotope, "SF6");
00526   //                    Name            c0              c1              c2              c3
00527   //                    |               |               |               |               |
00528 iso(it_isotope, "29" ,  Qcoeff(-1.668432e+06,  2.850128e+04,  -1.561230e+02,  3.288986e-01 ));//HITRAN 
00529 
00530 
00531 
00532   // H2S
00533   // Coeff:       1      1      1      2
00534   spec(it_species, it_isotope, "H2S");
00535   //                    Name            c0              c1              c2              c3
00536   //                    |               |               |               |               |
00537 
00538 iso(it_isotope, "121" , Qcoeff(-2.308888e+01,  9.052647e-01,  3.237531e-03,  -9.823621e-07 )); //HITRAN 
00539 iso(it_isotope, "141" , Qcoeff(-2.333981e+01,  9.102537e-01,  3.233485e-03,  -9.665574e-07 )); //HITRAN 
00540 iso(it_isotope, "131" , Qcoeff(-9.329309e+01,  3.636877e+00,  1.291822e-02,  -3.864368e-06 )); //HITRAN 
00541  iso(it_isotope,        "122" , Qcoeff(-1.512671e+01,  6.851018e-01,  3.158080e-03,  -1.563931e-06 )); //JPL
00542 
00543 
00544   // HCOOH
00545   // Coeff:       1      2      2      2
00546   spec(it_species, it_isotope, "HCOOH");
00547   //                    Name            c0              c1              c2              c3
00548   //                    |               |               |               |               |
00549 iso(it_isotope, "1261" ,        Qcoeff(-4.370811e+03,  1.141311e+02,  -1.217474e-01,  7.859656e-04 ));//HITRAN 
00550 iso(it_isotope, "1361" ,        Qcoeff(-4.910213e+03,  5.115094e+01,  3.433096e-02,  -1.340898e-04 ));// JPL 
00551 iso(it_isotope, "2261" ,        Qcoeff(3.823001e+02,  5.455419e+00,  1.108040e-01,  -5.086754e-06 ));// JPL 
00552 iso(it_isotope, "1262" ,        Qcoeff(8.193393e+02,  2.222546e+00,  1.070970e-01,  3.255965e-06 ));// JPL 
00553 
00554 
00555 
00556 
00557   // HO2
00558   // Coeff:       1
00559   spec(it_species, it_isotope, "HO2");
00560   //                    Name            c0              c1              c2              c3
00561   //                    |               |               |               |               |
00562 iso(it_isotope, "166" , Qcoeff(-2.341264e+02,  8.164256e+00,  2.506193e-02,  -3.012599e-06 )); //HITRAN 
00563 
00564 
00565 
00566   // O
00567   // Coeff:       1
00568   spec(it_species, it_isotope, "O");
00569   //                    Name            c0              c1              c2              c3
00570   //                    |               |               |               |               |
00571   iso(it_isotope,       "6",    Qcoeff( -1.0000E+00     ,0.0000E+00     ,0.0000E+00     ,0.0000E+00) ); //HITRAN 
00572 
00573 
00574 
00575   // ClONO2
00576   // Coeff:       1      1
00577   spec(it_species, it_isotope, "ClONO2");
00578   //                    Name            c0              c1              c2              c3
00579   //                    |               |               |               |               |
00580 iso(it_isotope, "5646" ,        Qcoeff(-2.052890e+06,  3.638094e+04,  -1.995279e+02,  5.224687e-01 ));//HITRAN 
00581 iso(it_isotope, "7646" ,        Qcoeff(-2.104484e+06,  3.729925e+04,  -2.045781e+02,  5.357327e-01 ));//HITRAN 
00582 
00583 
00584   // NO+
00585   // Coeff:       1
00586   spec(it_species, it_isotope, "NO+");
00587   //                    Name            c0              c1              c2              c3
00588   //                    |               |               |               |               |
00589 iso(it_isotope, "46" ,  Qcoeff(1.125969e+00,  1.047028e+00,  1.174546e-05,  -1.519278e-08 ));//HITRAN 
00590 
00591 
00592 
00593   // OClO
00594   // Coeff:       2      2
00595   spec(it_species, it_isotope, "OClO");
00596   //                    Name            c0              c1              c2              c3
00597   //                    |               |               |               |               |
00598 iso(it_isotope, "656" , Qcoeff(-1.617389e+03,  6.991068e+01,  5.003075e-01,  -1.442758e-04 ));// JPL 
00599 iso(it_isotope, "676" , Qcoeff(7.964396e+02,  4.768587e+01,  5.283347e-01,  -8.232128e-05 ));// JPL  
00600 
00601 // The partition function for BrO is provided by Agned Perin, Orsay France!!!
00602   // BrO
00603   // Coeff:       3      3
00604   spec(it_species, it_isotope, "BrO");
00605   //                    Name            c0              c1              c2              c3
00606   //                    |               |               |               |               |
00607 iso(it_isotope, "96" ,  Qcoeff(-4.084622e+01,  1.427999e+01,  -1.011647e-02,  2.783630e-05 )); //HITRAN 
00608 iso(it_isotope, "16" ,  Qcoeff(-4.118468e+01,  1.434034e+01,  -1.016302e-02,  2.795965e-05 )); //HITRAN 
00609 
00610   // H2SO4
00611   // Coeff:       2
00612   spec(it_species, it_isotope, "H2SO4");
00613   //                    Name            c0              c1              c2              c3
00614   //                    |               |               |               |               |
00615 iso(it_isotope, "126" , Qcoeff(-5.913199e+03,  2.485770e+02,  1.140269e+00,  -5.679165e-04 ));// JPL 
00616 
00617 
00618 
00619   // Cl2O2
00620   // Coeff:       2      2
00621   spec(it_species, it_isotope, "Cl2O2");
00622   //                    Name            c0              c1              c2              c3
00623   //                    |               |               |               |               |
00624 iso(it_isotope, "565" , Qcoeff(6.215326e+05,  -7.121447e+03,  2.784834e+01,  2.147458e-02 ));// JPL
00625 iso(it_isotope, "765" , Qcoeff(6.399192e+05,  -7.332314e+03,  2.866224e+01,  2.210953e-02 ));// JPL
00626 
00627 
00628   // HOBr
00629   // Coeff:       1      1
00630   spec(it_species, it_isotope, "HOBr");
00631   //                    Name            c0              c1              c2              c3
00632   //                    |               |               |               |               |
00633 iso(it_isotope, "169" , Qcoeff(-1.665575e+03,  5.687767e+01,  9.982304e-02,  1.705212e-04 )); //HITRAN 
00634 iso(it_isotope, "161" , Qcoeff(-1.631140e+03,  5.625451e+01,  1.012339e-01,  1.676169e-04 )); //HITRAN 
00635 
00636 
00637 
00638   // C2H4
00639   // Coeff:       1      1
00640   spec(it_species, it_isotope, "C2H4");
00641   //                    Name            c0              c1              c2              c3
00642   //                    |               |               |               |               |
00643 iso(it_isotope, "221" , Qcoeff(-1.379496e+03,  3.408740e+01,  -2.321387e-02,  1.682474e-04 )); //HITRAN 
00644 iso(it_isotope, "231" , Qcoeff(-5.653328e+03,  1.396050e+02,  -9.531910e-02,  6.891171e-04 )); //HITRAN 
00645 
00646 
00647   // CH3CN
00648   // Coeff:       2      2      2      2      2
00649   spec(it_species, it_isotope, "CH3CN");
00650   //                    Name                    c0              c1              c2              c3
00651   //                    |                       |               |               |               |
00652 iso(it_isotope, "211124" ,      Qcoeff(1.706820e+03,  1.093287e+00,  4.255850e-01,  3.367172e-05 ));// JPL 
00653 iso(it_isotope, "311124" ,      Qcoeff(-1.172596e+03,  4.973615e+01,  2.285735e-01,  -1.135942e-04 ));// JPL  
00654 iso(it_isotope, "211134" ,      Qcoeff(-1.139329e+03,  4.832504e+01,  2.220882e-01,  -1.103713e-04 ));// JPL
00655 iso(it_isotope, "211125" ,      Qcoeff(-3.861117e+02,  1.654635e+01,  7.638250e-02,  -3.776153e-05 ));// JPL   
00656 iso(it_isotope, "211224" ,      Qcoeff(-3.483734e+02,  1.464417e+01,  6.717486e-02,  -3.345710e-05 ));// JPL  
00657 
00658 
00659   // HNC
00660   // Coeff:       2      2      2      2
00661   spec(it_species, it_isotope, "HNC");
00662   //                    Name            c0              c1              c2              c3
00663   //                    |               |               |               |               |
00664 iso(it_isotope, "142" , Qcoeff(3.333499e-01,  4.595243e-01,  1.502307e-06,  2.413631e-13 ));// JPL 
00665 iso(it_isotope, "143" , Qcoeff(7.032558e-02,  4.813463e-01,  -6.651923e-06,  -1.954964e-11 ));// JPL  
00666 iso(it_isotope, "152" , Qcoeff(1.589700e-01,  4.708129e-01,  -3.866420e-06,  4.006830e-11 ));// JPL  
00667 iso(it_isotope, "242" , Qcoeff(2.865158e-01,  5.465990e-01,  2.142689e-07,  1.733211e-11 ));// JPL  
00668 
00669   // particle
00670   // Coeff:       1      1
00671   spec(it_species, it_isotope, "liquidcloud");
00672   //                    Name            c0              c1              c2              c3
00673   //                    |               |               |               |               |
00674   iso(it_isotope,       "MPM93", Qcoeff( 0      ,0              ,0              ,0  ) );
00675 
00676   // particle
00677   // Coeff:       1      1
00678   spec(it_species, it_isotope, "icecloud");
00679   //                    Name            c0              c1              c2              c3
00680   //                    |               |               |               |               |
00681   iso(it_isotope,       "MPM93",Qcoeff( 0              ,0               ,0              ,0  ) );
00682 
00683   // particle
00684   // Coeff:       1      1
00685   spec(it_species, it_isotope, "rain");
00686   //                    Name            c0              c1              c2              c3
00687   //                    |               |               |               |               |
00688   iso(it_isotope,       "MPM93",Qcoeff( 0              ,0               ,0              ,0  ) );
00689 
00690 }
00691 
00692 
00693 void spec(Array<SpeciesRecord>::iterator& is,
00694           Array<IsotopeRecord>::iterator& ii,
00695           String name)
00696 {
00697   
00698   assert( name == is->Name() );
00699 
00700   if (name ==  is->Name() ){}
00701   ii = is->Isotope().begin();
00702 
00703   is++;
00704 
00705 }
00706 
00707 
00708 void iso(Array<IsotopeRecord>::iterator& ii,
00709          String name,
00710          const ArrayOfNumeric& coeff)
00711 {
00712   assert( name == ii->Name() );
00713 
00714   if (name ==  ii->Name() ){}
00715   ii->SetPartitionFctCoeff(coeff);
00716 
00717   ii++;
00718 
00719 }