chem/KPP/util/wkc/compare_kpp_to_species.c

   1 #include <stdio.h>
   2 #include <stdlib.h>
   3 #include <string.h>
   4 #include <strings.h>
   5 #include <dirent.h>
   6 #include <unistd.h>
   7 #include <sys/stat.h>
   8
   9
  10 #include "protos.h"
  11 #include "protos_kpp.h"
  12 #include "registry.h"
  13 #include "data.h"
  14 #include "kpp_data.h"
  15
  16
  17 #define DEBUGR 0
  18
  19 /* variable name of molecular nitrogen in KPP file*/
  20 char * kpp_n2 = "N2" ;
  21
  22 /* variable name of molecular oxygen in KPP file*/
  23 char * kpp_o2 = "O2" ;
  24
  25 /* variable name of CO2 in KPP file*/
  26 char * kpp_co2 = "CO2" ;
  27
  28 /* variable name of water vapor in KPP file*/
  29 char * kpp_h2o = "H2O" ;
  30
  31
  32 /* variable name of third body in KPP file*/
  33 char * kpp_third_body = "M" ;
  34
  35
  36 int
  37 compare_kpp_to_species  ( char * kpp_dirname)
  38 {
  39   knode_t * p1, *p2, * p, * pm1, * pm2, * p3, * pm3 , wrf_kpp_equivs;
  40   char name1[NAMELEN], name2[NAMELEN], name3[NAMELEN] ;
  41   char equivfilename[NAMELEN];
  42   FILE * equivFile;
  43   char inln[NAMELEN], newln[NAMELEN];
  44   int in_comment, got_it;
  45   char wrf_name[NAMELEN], kpp_name[NAMELEN];
  46   int i;
  47   int got_h2o;
  48
  49   /*  first find matching packages */
  50
  51
  52   for ( p1 =   KPP_packs  ; p1 != NULL ; p1 = p1->next ) {
  53     for ( p2 =   WRFC_packs  ; p2 != NULL ; p2 = p2->next ) {
  54
  55       /* printf(" ... test0  %s %s\n",p1->name, p2->name ); */
  56
  57
  58        if ( strcmp (p1->name, p2->name) == 0) {
  59
  60
  61
  62      /* point from a KPP-pack to the corresponding WRFC_pack */
  63           p1->assoc_wrf_pack = p2;
  64
  65        }
  66
  67     }
  68   }
  69
  70
  71
  72
  73    for ( p1 =   KPP_packs  ; p1 != NULL ; p1 = p1->next ) {
  74      p2 = p1->assoc_wrf_pack;
  75         printf(" ... testing  %s %s\n",p1, p2 );
  76      if ( p2 ) {
  77      fprintf(stderr, "\n \n FOUND match between WRF-Chem/KPP for mechanism:  %s \n", p2->name);
  78
  79
  80      for ( pm1 = p1 -> members;  pm1 != NULL ; pm1 = pm1->next ) {
  81           pm1->found_match = 0;
  82           pm1->is_radical =0;
  83      }
  84
  85
  86
  87     /* if file *_wrfkpp.equiv exists store contents in wrf_kpp_equivs struct */
  88
  89        sprintf(  equivfilename, "%s/%s/%s_wrfkpp.equiv", kpp_dirname, p2->name,  p2->name);
  90
  91        /* printf("%s \n",  equivfilename ); */
  92
  93       equivFile = fopen (equivfilename, "r" );
  94
  95     if ( equivFile == NULL ) {
  96        fprintf(stderr," Did NOT find file %s\n",equivfilename);
  97     }
  98     else
  99     {
 100           fprintf(stderr," Found file %s\n",equivfilename);
 101
 102      /* loop over lines in wrf_kpp_equiv file */
 103          while ( fgets ( inln , NAMELEN , equivFile ) != NULL ){
 104           if (  DEBUGR == 1 ) printf(" i  %s ", inln );
 105
 106
 107            int j;
 108             for(j = 0; j < NAMELEN ; j++) wrf_name[j]='\0';
 109             for(j = 0; j < NAMELEN ; j++) kpp_name[j]='\0';
 110
 111            int n=0;
 112            in_comment = 0;
 113               for(j = 0; j < NAMELEN ; j++) newln[j]='\0';
 114
 115             while ( inln[n] !=  '\0' ){
 116               if (inln[n] == '!') {
 117                 in_comment = 1;
 118               }
 119               if ( !in_comment ) {
 120                 newln[n] =  inln[n];
 121               }
 122               n++;
 123               }
 124
 125
 126          if (  DEBUGR == 1 ) printf(" n  %s ", newln );
 127              if ( !in_comment && strlen(newln) > 1 ) {
 128                   n=0;
 129                  while ( newln[n] !=  '\0' ){
 130                      i=0;
 131
 132                       while ( newln[n] !=  ' ' ){
 133                         wrf_name[i]=newln[n];
 134                        i++;
 135                        n++;
 136                       }
 137
 138                       n++;
 139
 140                      i=0;
 141                       while ( newln[n] !=  ' ' && newln[n] != '\0'){
 142                         if  (newln[n] != '\n'){
 143                         kpp_name[i]=newln[n];
 144                         }
 145                        i++;
 146                        n++;
 147                       }
 148
 149                  }
 150
 151
 152
 153
 154
 155                  make_upper_case(wrf_name);
 156
 157                  make_upper_case(kpp_name);
 158
 159      /*  wrf_name=strtok(newln, " ");
 160          kpp_name=strtok(NULL, " ");   */
 161             printf(" kpp_name,  wrf_name   %s %s \n ", kpp_name, wrf_name  );
 162
 163
 164
 165                  /* check whether wrf_name was found in Registry */
 166                  /*   either as associated 4D chem var in a package */
 167
 168                 got_it=0;
 169                for ( pm2 = p2 -> members;  pm2 != NULL ; pm2 = pm2->next ) {
 170
 171                      strcpy( name2, pm2->name );
 172                      make_upper_case(name2);
 173
 174                  if (  DEBUGR > 1 ) {
 175                  fprintf(stderr,"comp %s %s \n",pm2->name, wrf_name);
 176                  }
 177                  if ( strcmp(name2, wrf_name) == 0 ) {
 178                    got_it=1;
 179
 180
 181                  }
 182                }
 183
 184
 185
 186
 187
 188                /*  (b)  or declared as a non-transported radical */
 189
 190
 191                  p3 = WRFC_radicals;
 192
 193
 194                for ( pm3 = p3 -> members;  pm3 != NULL ; pm3 = pm3->next ) {
 195
 196
 197                    strcpy( name3, pm3->name );
 198                    make_upper_case(name3);
 199
 200
 201                  if (  DEBUGR > 1 ) {
 202                  fprintf(stderr,"comp ra %s %s \n",name3, wrf_name);
 203                  }
 204                  if ( strcmp(name3, wrf_name) == 0 ) {
 205                    got_it=1;
 206
 207
 208                  }
 209                  }
 210
 211
 212
 213                 if ( got_it != 1 ) {
 214                   fprintf(stderr, "ERROR: variable name %s was found in file %s but not in the Registry \n", wrf_name, equivfilename);
 215                    exit (0);
 216                 }
 217
 218
 219     /*-------------------------------------------------*/
 220
 221             /* check whether kpp_name was found in species file and
 222                store name from wrf_kpp_equiv file in assoc_wrf_name */
 223                got_it=0;
 224              for ( pm1 = p1 -> members;  pm1 != NULL ; pm1 = pm1->next ) {
 225
 226
 227                 strcpy( name1, pm1->name );
 228                 make_upper_case(name1);
 229
 230                if ( strcmp(name1, kpp_name) == 0 ) {
 231                    got_it=1;
 232                    pm1->found_match = 1;
 233                    strcpy( pm1->assoc_wrf_name,  wrf_name);
 234
 235
 236
 237              /* still have to check if it is a radical .. */
 238
 239                for ( pm3 = p3 -> members;  pm3 != NULL ; pm3 = pm3->next ) {
 240
 241
 242                    strcpy( name3, pm3->name );
 243                    make_upper_case(name3);
 244
 245
 246                  if (  DEBUGR > 1 ) {
 247                  fprintf(stderr,"comp ra %s %s \n",name3, wrf_name);
 248                  }
 249                  if ( strcmp(name3, wrf_name) == 0 ) {
 250
 251                     pm1->is_radical = 1;
 252
 253                  }
 254                  }
 255
 256
 257                if (  DEBUGR == 1 ) {
 258                  fprintf(stderr,"matching %s %s %i \n",pm1->name, kpp_name, got_it);
 259                }
 260                  }
 261                if (  DEBUGR > 1 ) {
 262                  fprintf(stderr,"comp %s %s %i \n",pm1->name, kpp_name, got_it);
 263                }
 264
 265              }
 266
 267
 268
 269
 270                  if ( got_it != 1 ) {
 271                   fprintf(stderr, "ERROR:  variable name %s was not found in species file in directory %s/%s but it was found in  %s \n", kpp_name, kpp_dirname, p2->name, equivfilename);
 272                   exit (0);
 273                  }
 274
 275
 276
 277             }
 278           }
 279     }
 280
 281
 282
 283      /* compare compound  names, use variable */
 284      for ( pm1 = p1 -> members;  pm1 != NULL ; pm1 = pm1->next ) {
 285
 286
 287             if (  DEBUGR == 1 ) {
 288              fprintf(stderr, " SEARCHING FOR %s  \n", pm1->name );
 289             }
 290
 291
 292                 strcpy( name1, pm1->name );
 293                 make_upper_case(name1);
 294
 295        for ( pm2 = p2 -> members;  pm2 != NULL ; pm2 = pm2->next ) {
 296
 297
 298           strcpy( name2, pm2->name );
 299           make_upper_case(name2);
 300
 301
 302
 303          if ( strcmp (name1, name2) == 0) {
 304           /* store matching name of WRF var in members of KPP_packs */
 305           strcpy( pm1->assoc_wrf_name,  pm2->name);
 306           pm1->found_match = 1;
 307             if (  DEBUGR == 1 ) {
 308           fprintf(stderr, " matching names:  %s %s \n", pm1->name,  pm1->assoc_wrf_name);
 309             }
 310          }
 311        }
 312
 313
 314        /* the same for radicals */
 315        if ( pm1->found_match != 1 ) {
 316
 317          if (  DEBUGR == 1 ){
 318             fprintf(stderr, " STILL SEARCHING FOR %s  \n", pm1->name );
 319          }
 320          p3 = WRFC_radicals;
 321
 322
 323        for ( pm3 = p3 -> members;  pm3 != NULL ; pm3 = pm3->next ) {
 324
 325
 326           strcpy( name3, pm3->name );
 327           make_upper_case(name3);
 328
 329
 330           /* fprintf(stderr, " comparing  radicals %s %s \n", name1, name3); */
 331
 332          if ( strcmp (name1, name3) == 0) {
 333           /* store matching name of WRF var in members of KPP_packs */
 334           strcpy( pm1->assoc_wrf_name,  pm3->name);
 335           pm1->found_match = 1;
 336           pm1->is_radical = 1;
 337             if (  DEBUGR == 1 ) {
 338           fprintf(stderr, " matching radical name :  %s %s \n", pm1->name,  pm1->assoc_wrf_name);
 339             }
 340          }
 341        }
 342        }
 343
 344
 345
 346      }
 347
 348      /*  special handling for fixed species */
 349
 350      p1 -> got_air = 0;
 351      p1 -> got_o2 = 0;
 352      p1 -> got_n2 = 0;
 353      p1 -> got_co2 = 0;
 354      got_h2o = 0;
 355      /* take care of water, third body, N2, O2 */
 356      for ( pm1 = p1 -> members;  pm1 != NULL ; pm1 = pm1->next ) {
 357           strcpy( name1, pm1->name );
 358           make_upper_case(name1);
 359        if ( strcmp (name1, kpp_third_body) == 0) {
 360           pm1->found_match = 2;
 361            strcpy( pm1->assoc_wrf_name,  "THIRD BODY");
 362            p1 -> got_air = 1;
 363        }
 364        if ( strcmp (name1, kpp_h2o) == 0) {
 365           pm1->found_match = 2;
 366           strcpy( pm1->assoc_wrf_name,  "WATER VAPOR");
 367           got_h2o = 1;
 368        }
 369        if ( strcmp (name1, kpp_n2) == 0) {
 370           pm1->found_match = 2;
 371            strcpy( pm1->assoc_wrf_name,  "MOLECULAR NITROGEN");
 372            p1 -> got_n2 = 1;
 373        }
 374        if ( strcmp (name1, kpp_o2) == 0) {
 375           pm1->found_match = 2;
 376            strcpy( pm1->assoc_wrf_name,  "MOLECULAR OXYGEN");
 377            p1 -> got_o2 = 1;
 378        }
 379        if ( strcmp (name1, kpp_co2) == 0) {
 380           pm1->found_match = 2;
 381            strcpy( pm1->assoc_wrf_name,  "CO2");
 382            p1 -> got_co2 = 1;
 383        }
 384      }
 385
 386      if  ( p1 -> got_air != 1 ) {
 387                   fprintf(stderr, "ERROR: variable name for third body in KPP species file is expected to be  %s, but was not found in %s species file \n",  kpp_third_body,  p2->name);
 388                   /* exit (0); */
 389                 }
 390
 391      if  ( got_h2o != 1 ) {
 392                   fprintf(stderr, "ERROR: variable name for water in KPP species file is expected to be  %s, but was not found in %s species file\n",  kpp_h2o,  p2->name);
 393                   /* exit (0); */
 394                 }
 395
 396
 397
 398
 399      }
 400    }
 401
 402
 403
 404    /*   now in screen_out
 405    for ( p1 =   KPP_packs  ; p1 != NULL ; p1 = p1->next ) {
 406      p2 = p1->assoc_wrf_pack;
 407      if ( p2 ) {
 408      fprintf(stderr, "1 MATCHING PACKS:  %s \n", p2->name);
 409           for ( pm1 = p1 -> members;  pm1 != NULL ; pm1 = pm1->next ) {
 410
 411                  if ( pm1 -> found_match == 1 ) {
 412                    fprintf(stderr, " 1 found %s %s  \n", pm1->name, pm1 -> assoc_wrf_name );
 413                  }
 414                  else if ( pm1 -> found_match == 2 ) {
 415                   fprintf(stderr, " 1 found %s %s  \n", pm1->name, pm1 -> assoc_wrf_name );
 416                  }
 417                  else {
 418                 fprintf(stderr, " 0 NOT found %s   \n", pm1->name );
 419                 exit (0);
 420                  }
 421
 422           }
 423
 424      }
 425    }
 426
 427     */
 428
 429
 430   return(0) ;
 431
 432 }