| 1 |
#define EXTERN extern
|
| 2 |
|
| 3 |
#include "pcwin.h"
|
| 4 |
#include "pcmod.h"
|
| 5 |
#include "energies.h"
|
| 6 |
#include "pdb.h"
|
| 7 |
#include "solv.h"
|
| 8 |
#include "fix.h"
|
| 9 |
#include "atom_k.h"
|
| 10 |
#include "draw.h"
|
| 11 |
|
| 12 |
void rdfile(int, int);
|
| 13 |
void rdpcm(int,int);
|
| 14 |
void pcmfin(int,int);
|
| 15 |
void pcmfout(int);
|
| 16 |
void gettoken(void);
|
| 17 |
void initialize(void);
|
| 18 |
FILE * fopen_path ( char * , char * , char * ) ;
|
| 19 |
int FetchRecord(FILE *, char *);
|
| 20 |
void zero_data(void);
|
| 21 |
void read_datafiles(char *);
|
| 22 |
void read_atomtypes(int);
|
| 23 |
void get_atomname(int,char *);
|
| 24 |
void clean_string(char *);
|
| 25 |
void hdel(int);
|
| 26 |
|
| 27 |
/* COMMON translations */
|
| 28 |
struct t_pcmfile {
|
| 29 |
char string[200];
|
| 30 |
int head;
|
| 31 |
char token[20];
|
| 32 |
int state;
|
| 33 |
unsigned int nocaps;
|
| 34 |
} pcmfile;
|
| 35 |
|
| 36 |
EXTERN struct t_minim_values {
|
| 37 |
int iprint, ndc, nconst;
|
| 38 |
float dielc;
|
| 39 |
} minim_values;
|
| 40 |
|
| 41 |
EXTERN struct t_files {
|
| 42 |
int nfiles, append, batch, icurrent, ibatno;
|
| 43 |
} files;
|
| 44 |
|
| 45 |
int oh2, oh3, oh6;
|
| 46 |
EXTERN int mm3_mmx[];
|
| 47 |
EXTERN int mmff_mmx[];
|
| 48 |
EXTERN int amber_mmx[];
|
| 49 |
EXTERN int opls_mmx[];
|
| 50 |
|
| 51 |
// ========================================================
|
| 52 |
void read_atomtypes(int field)
|
| 53 |
{
|
| 54 |
char string[20];
|
| 55 |
|
| 56 |
if (field == MM3)
|
| 57 |
{
|
| 58 |
strcpy(string,"mm3.prm");
|
| 59 |
zero_data();
|
| 60 |
read_datafiles(string);
|
| 61 |
} else if (field == MMFF94)
|
| 62 |
{
|
| 63 |
strcpy(string,"mmff94.prm");
|
| 64 |
zero_data();
|
| 65 |
read_datafiles(string);
|
| 66 |
} else if (field == AMBER)
|
| 67 |
{
|
| 68 |
strcpy(string,"amber.prm");
|
| 69 |
zero_data();
|
| 70 |
read_datafiles(string);
|
| 71 |
} else if (field == OPLSAA)
|
| 72 |
{
|
| 73 |
strcpy(string,"oplsaa.prm");
|
| 74 |
zero_data();
|
| 75 |
read_datafiles(string);
|
| 76 |
} else if (field == MMX)
|
| 77 |
{
|
| 78 |
strcpy(string,"mmxconst.prm");
|
| 79 |
zero_data();
|
| 80 |
read_datafiles(string);
|
| 81 |
}
|
| 82 |
}
|
| 83 |
// ========================================================
|
| 84 |
void get_atomname(int type,char *name)
|
| 85 |
{
|
| 86 |
int i;
|
| 87 |
strcpy(name,"");
|
| 88 |
for (i=1; i <= MAXATOMTYPE; i++)
|
| 89 |
{
|
| 90 |
if (type == atom_k.type[i])
|
| 91 |
{
|
| 92 |
strcpy(name,atom_k.symbol[i]);
|
| 93 |
return;
|
| 94 |
}
|
| 95 |
}
|
| 96 |
}
|
| 97 |
// ==================================================
|
| 98 |
void pcmfout(int mode)
|
| 99 |
{
|
| 100 |
FILE *wfile;
|
| 101 |
int icoord, imetflag, ispin,lps;
|
| 102 |
int i,j,isub,icount, itype;
|
| 103 |
|
| 104 |
/* Mode = 1 normal packed write operation
|
| 105 |
* Mode = 2 fast no questions asked unpacked write of pcmod.bak
|
| 106 |
* Mode = 3 fast no questions ot file = wfile
|
| 107 |
* mode = 4 start of minim to pcmod.bak but ask questions about pi */
|
| 108 |
if( mode == 1 )
|
| 109 |
{
|
| 110 |
/* assume append is set when we get a filename that exists */
|
| 111 |
/* put up dialog box with current structure title, pi flags
|
| 112 |
and added constants question */
|
| 113 |
if( files.append )
|
| 114 |
wfile = fopen_path(Savebox.path,Savebox.fname,"a");
|
| 115 |
else
|
| 116 |
wfile = fopen_path(Savebox.path,Savebox.fname,"w");
|
| 117 |
}
|
| 118 |
else if( mode == 2 || mode == 4 )
|
| 119 |
{
|
| 120 |
wfile = fopen_path(pcwindir,"pcmod.bak","w");
|
| 121 |
}
|
| 122 |
else if( mode == 3 )
|
| 123 |
{
|
| 124 |
if( files.append )
|
| 125 |
wfile = fopen_path(Savebox.path,Savebox.fname,"a");
|
| 126 |
else
|
| 127 |
wfile = fopen_path(Savebox.path,Savebox.fname,"w");
|
| 128 |
}
|
| 129 |
if (wfile == NULL)
|
| 130 |
{
|
| 131 |
message_alert("Error opening file in PCMFOUT. Cannot create file","PCM File");
|
| 132 |
return;
|
| 133 |
}
|
| 134 |
// remove lone pairs if not writing mmx types
|
| 135 |
lps = FALSE;
|
| 136 |
if (default_outtype != MMX)
|
| 137 |
{
|
| 138 |
for (i=1; i <= natom; i++)
|
| 139 |
{
|
| 140 |
if (atom[i].mmx_type == 20)
|
| 141 |
{
|
| 142 |
lps = TRUE;
|
| 143 |
break;
|
| 144 |
}
|
| 145 |
}
|
| 146 |
}
|
| 147 |
if (lps == TRUE)
|
| 148 |
hdel(1);
|
| 149 |
|
| 150 |
/* start of file writing */
|
| 151 |
fprintf(wfile,"{PCM %s\n",Struct_Title);
|
| 152 |
fprintf(wfile,"NA %d\n",natom);
|
| 153 |
|
| 154 |
/* flags */
|
| 155 |
fprintf(wfile,"FL ");
|
| 156 |
fprintf(wfile,"EINT%d ",minim_values.ndc);
|
| 157 |
if( units.dielec != 1.5 )
|
| 158 |
fprintf(wfile,"DIELC%f ",units.dielec);
|
| 159 |
fprintf(wfile,"\n");
|
| 160 |
// default output filetypes
|
| 161 |
fprintf(wfile,"ATOMTYPES %d\n",default_outtype);
|
| 162 |
/* substructure name information */
|
| 163 |
icount = 0;
|
| 164 |
/* box of solvent information */
|
| 165 |
if (solv.nmols > 0)
|
| 166 |
{
|
| 167 |
fprintf(wfile,"NMOL %d DENSITY %f BOX %f %f %f\n",solv.nmols,solv.density,solv.boxx, solv.boxy,solv.boxz);
|
| 168 |
}
|
| 169 |
/*
|
| 170 |
if( minim_values.nconst && mode > 1 )
|
| 171 |
fprintf(wfile,"CO FILE %s\n",constf.cname);*/
|
| 172 |
/* atoms and bonds lists */
|
| 173 |
for( i = 1; i <= natom; i++ )
|
| 174 |
{
|
| 175 |
if (default_outtype == MMX)
|
| 176 |
{
|
| 177 |
itype = atom[i].mmx_type;
|
| 178 |
} else if (default_outtype == MM3)
|
| 179 |
{
|
| 180 |
itype = atom[i].mm3_type;
|
| 181 |
} else if (default_outtype == MMFF94)
|
| 182 |
{
|
| 183 |
itype = atom[i].mmff_type;
|
| 184 |
}
|
| 185 |
fprintf(wfile,"AT %d %d %8.4f %8.4f %8.4f",i,itype,atom[i].x,
|
| 186 |
atom[i].y, atom[i].z);
|
| 187 |
// bonds
|
| 188 |
fprintf(wfile," B");
|
| 189 |
for( j = 0; j < MAXIAT; j++ )
|
| 190 |
{
|
| 191 |
if( atom[i].iat[j])
|
| 192 |
{
|
| 193 |
fprintf(wfile," %d %d",atom[i].iat[j],atom[i].bo[j]);
|
| 194 |
}
|
| 195 |
}
|
| 196 |
if( atom[i].flags & (1L << HBOND_MASK) )
|
| 197 |
fprintf(wfile," H ");
|
| 198 |
if( atom[i].flags & (1L << PI_MASK) )
|
| 199 |
fprintf(wfile," P ");
|
| 200 |
if( atom[i].mmx_type >= 300 )
|
| 201 |
{
|
| 202 |
icoord = 0;
|
| 203 |
ispin = -1;
|
| 204 |
imetflag = 0;
|
| 205 |
if( atom[i].flags & (1L << SATMET_MASK) )
|
| 206 |
imetflag += 2;
|
| 207 |
if( atom[i].flags & (1L << GT18e_MASK) )
|
| 208 |
imetflag += 1;
|
| 209 |
if( imetflag == 2 )
|
| 210 |
icoord = 0;
|
| 211 |
if( imetflag == 1 )
|
| 212 |
icoord = 2;
|
| 213 |
if( imetflag == 3 )
|
| 214 |
{
|
| 215 |
icoord = 1;
|
| 216 |
imetflag = 0;
|
| 217 |
if( atom[i].flags & (1L << LOWSPIN_MASK) )
|
| 218 |
imetflag += 2;
|
| 219 |
if( atom[i].flags & (1L << SQPLAN_MASK) )
|
| 220 |
imetflag += 1;
|
| 221 |
if( imetflag == 2 )
|
| 222 |
ispin = 0;
|
| 223 |
if( imetflag == 3 )
|
| 224 |
ispin = 2;
|
| 225 |
if( imetflag == 1 )
|
| 226 |
ispin = 1;
|
| 227 |
}
|
| 228 |
if( icoord )
|
| 229 |
{
|
| 230 |
fprintf(wfile," M %d",icoord);
|
| 231 |
if( ispin >= 0 )
|
| 232 |
fprintf(wfile," %d",ispin);
|
| 233 |
}
|
| 234 |
fprintf(wfile," R %g",atom[i].radius);
|
| 235 |
}
|
| 236 |
if( atom[i].charge )
|
| 237 |
{
|
| 238 |
fprintf(wfile," C %g",atom[i].charge);
|
| 239 |
}
|
| 240 |
fprintf(wfile,"\n");
|
| 241 |
}
|
| 242 |
|
| 243 |
fprintf(wfile,"}\n");
|
| 244 |
fclose(wfile);
|
| 245 |
} /* end of function */
|
| 246 |
|
| 247 |
/* ------------------------------- */
|
| 248 |
|
| 249 |
#define NL gettoken(); if (pcmfile.head == 1000) goto L_30;
|
| 250 |
#define ALPHABETIC 2
|
| 251 |
#define NUMERIC 1
|
| 252 |
|
| 253 |
void pcmfin(int nth,int isubred)
|
| 254 |
{
|
| 255 |
int newatom, i, ibondcount, ibonded, ibondorder,
|
| 256 |
icoord, imetcount, ioffset, ispin, iprint,
|
| 257 |
isubmap[MAXSS], j, numbonds, niatom, itemp;
|
| 258 |
int newat, newtype, ifile, isMetal, itype;
|
| 259 |
long int mask;
|
| 260 |
char ianame[3];
|
| 261 |
float ddcount, xtmp, ytmp, ztmp;
|
| 262 |
FILE *pcminfile;
|
| 263 |
|
| 264 |
imetcount = 0;
|
| 265 |
isMetal = FALSE;
|
| 266 |
ddcount = 0;
|
| 267 |
pcmfile.nocaps = False;
|
| 268 |
numbonds = 0;
|
| 269 |
ibondcount = 0;
|
| 270 |
units.dielec = 1.5;
|
| 271 |
|
| 272 |
for (i = 0; i < MAXSS; i++)
|
| 273 |
{
|
| 274 |
isubmap[i] = 0;
|
| 275 |
}
|
| 276 |
|
| 277 |
if( isubred == 1 )
|
| 278 |
{
|
| 279 |
ioffset = natom;
|
| 280 |
}
|
| 281 |
else
|
| 282 |
{
|
| 283 |
ioffset = 0;
|
| 284 |
}
|
| 285 |
|
| 286 |
pcminfile = fopen_path(Openbox.path,Openbox.fname,"r");
|
| 287 |
|
| 288 |
if (pcminfile == NULL)
|
| 289 |
{
|
| 290 |
message_alert("Error Opening PCM file","PCM Setup");
|
| 291 |
fprintf(pcmlogfile,"PCMFIN error opening file %d %s\n",nth,Openbox.fname);
|
| 292 |
return;
|
| 293 |
}
|
| 294 |
|
| 295 |
ifile = 0;
|
| 296 |
if (nth != 1)
|
| 297 |
{
|
| 298 |
while ( FetchRecord(pcminfile,pcmfile.string) )
|
| 299 |
{
|
| 300 |
if (strncasecmp(pcmfile.string,"{PCM",4) == 0)
|
| 301 |
{
|
| 302 |
ifile++;
|
| 303 |
if (ifile == nth)
|
| 304 |
break;
|
| 305 |
}
|
| 306 |
}
|
| 307 |
}else
|
| 308 |
{
|
| 309 |
FetchRecord(pcminfile,pcmfile.string);
|
| 310 |
}
|
| 311 |
|
| 312 |
/* finished scaning to starting structure now read file */
|
| 313 |
if (isubred == 0)
|
| 314 |
{
|
| 315 |
sscanf(pcmfile.string, "{PCM %60c", Struct_Title);
|
| 316 |
clean_string(Struct_Title);
|
| 317 |
} else
|
| 318 |
{
|
| 319 |
if (natom < 1 )
|
| 320 |
{
|
| 321 |
sscanf(pcmfile.string, "{PCM %60c", Struct_Title);
|
| 322 |
clean_string(Struct_Title);
|
| 323 |
}
|
| 324 |
}
|
| 325 |
L_30:
|
| 326 |
FetchRecord(pcminfile,pcmfile.string);
|
| 327 |
*(pcmfile.string + strlen(pcmfile.string) ) = '\0';
|
| 328 |
if (feof(pcminfile))
|
| 329 |
goto L_170;
|
| 330 |
pcmfile.head = 1;
|
| 331 |
NL;
|
| 332 |
L_40:
|
| 333 |
if (strcmp(pcmfile.token, "NA") == 0)
|
| 334 |
{
|
| 335 |
gettoken();
|
| 336 |
if (pcmfile.head == 1000)
|
| 337 |
goto L_30;
|
| 338 |
niatom = atoi(pcmfile.token);
|
| 339 |
if (niatom + ioffset > MAXATOM)
|
| 340 |
{
|
| 341 |
natom = ioffset;
|
| 342 |
fclose(pcminfile);
|
| 343 |
message_alert(" Maximum number of atoms exceeded in PCMFIN","PCM Setup");
|
| 344 |
fprintf(pcmlogfile," unable to continue reading, more than Max atoms %d\n",MAXATOM);
|
| 345 |
return;
|
| 346 |
}
|
| 347 |
niatom += ioffset;
|
| 348 |
NL;
|
| 349 |
goto L_30;
|
| 350 |
} else if (strcmp(pcmfile.token,"ATOMTYPES") == 0)
|
| 351 |
{
|
| 352 |
gettoken();
|
| 353 |
if (pcmfile.head == 1000)
|
| 354 |
goto L_30;
|
| 355 |
itemp = atoi(pcmfile.token);
|
| 356 |
if (itemp != default_intype)
|
| 357 |
{
|
| 358 |
default_intype = itemp;
|
| 359 |
read_atomtypes(default_intype);
|
| 360 |
}
|
| 361 |
NL;
|
| 362 |
goto L_30;
|
| 363 |
} else if (strcmp(pcmfile.token,"SSNAME") == 0 && isubred == 0) // substructure name
|
| 364 |
{
|
| 365 |
gettoken();
|
| 366 |
if (pcmfile.head == 1000) goto L_30;
|
| 367 |
} else if (strcmp(pcmfile.token, "NT") == 0) /* This is for Amino Acids */
|
| 368 |
{
|
| 369 |
NL;
|
| 370 |
i = atoi(pcmfile.token); /* i is atom number of N terminus */
|
| 371 |
mask = 1L << NTERM; /* use bit 0 of substr 1 for N terminus*/
|
| 372 |
atom[i+ioffset].flags |= mask;
|
| 373 |
|
| 374 |
NL;
|
| 375 |
if (strcmp(pcmfile.token, "CT") == 0)
|
| 376 |
{
|
| 377 |
NL;
|
| 378 |
i = atoi(pcmfile.token); /* i is atom number of C terminus */
|
| 379 |
mask = 1L << CNTERM; /* use bit 1 of substr 1 for C terminus */
|
| 380 |
atom[i+ioffset].flags |= mask;
|
| 381 |
}
|
| 382 |
} else if (strcmp(pcmfile.token, "5PRIME") == 0) /* This is for Nucleic Acids */
|
| 383 |
{
|
| 384 |
NL;
|
| 385 |
i = atoi(pcmfile.token); /* i is atom number of 5prime terminus */
|
| 386 |
mask = 1L << P5;
|
| 387 |
atom[i+ioffset].flags |= mask;
|
| 388 |
}else if (strcmp(pcmfile.token, "3PRIME") == 0) /* This is for Nucleic Acids */
|
| 389 |
{
|
| 390 |
NL;
|
| 391 |
i = atoi(pcmfile.token); /* i is atom number of C terminus */
|
| 392 |
mask = 1L << P3; /* use bit 1 of substr 1 for C terminus */
|
| 393 |
atom[i+ioffset].flags |= mask;
|
| 394 |
} else if (strcmp(pcmfile.token, "FG") == 0) /* This is for functional groups */
|
| 395 |
{
|
| 396 |
NL;
|
| 397 |
i = atoi(pcmfile.token); /* i is atom number of connect point */
|
| 398 |
mask = 1L << DUMMY; /* use bit 0 of substr 1 for connect*/
|
| 399 |
atom[i+ioffset].flags |= mask;
|
| 400 |
|
| 401 |
} else if (strcmp(pcmfile.token, "OT") == 0) /* This is for Sugars */
|
| 402 |
{
|
| 403 |
NL;
|
| 404 |
i = atoi(pcmfile.token); /* i is atom number of O terminus */
|
| 405 |
mask = 1L << NTERM; /* use bit 0 of substr 1 for O terminus*/
|
| 406 |
atom[i+ioffset].flags |= mask;
|
| 407 |
|
| 408 |
NL;
|
| 409 |
if (strcmp(pcmfile.token, "CT") == 0)
|
| 410 |
{
|
| 411 |
NL;
|
| 412 |
i = atoi(pcmfile.token); /* i is atom number of H terminus */
|
| 413 |
mask = 1L << CNTERM; /* use bit 1 of substr 1 for H terminus */
|
| 414 |
atom[i+ioffset].flags |= mask;
|
| 415 |
}
|
| 416 |
|
| 417 |
NL;
|
| 418 |
if (strcmp(pcmfile.token, "OTWO") == 0)
|
| 419 |
{
|
| 420 |
NL;
|
| 421 |
i = atoi(pcmfile.token); /* i is atom number of H terminus */
|
| 422 |
oh2 = i+ioffset;
|
| 423 |
}
|
| 424 |
|
| 425 |
NL;
|
| 426 |
if (strcmp(pcmfile.token, "OTHR") == 0)
|
| 427 |
{
|
| 428 |
NL;
|
| 429 |
i = atoi(pcmfile.token); /* i is atom number of H terminus */
|
| 430 |
oh3 = i+ioffset;
|
| 431 |
}
|
| 432 |
|
| 433 |
NL;
|
| 434 |
if (strcmp(pcmfile.token, "OSIX") == 0)
|
| 435 |
{
|
| 436 |
NL;
|
| 437 |
i = atoi(pcmfile.token); /* i is atom number of H terminus */
|
| 438 |
oh6 = i+ioffset;
|
| 439 |
}
|
| 440 |
} else if (strcmp(pcmfile.token,"START") == 0) /* flag for polybuild */
|
| 441 |
{
|
| 442 |
NL;
|
| 443 |
i = atoi(pcmfile.token);
|
| 444 |
mask = 1L << DUMMY;
|
| 445 |
atom[i+ioffset].flags |= mask;
|
| 446 |
NL; // END
|
| 447 |
NL;
|
| 448 |
i = atoi(pcmfile.token);
|
| 449 |
mask = 1L << DUMMY;
|
| 450 |
atom[i+ioffset].flags |= mask;
|
| 451 |
} else if (strcmp(pcmfile.token,"NMOL") == 0)
|
| 452 |
{
|
| 453 |
NL;
|
| 454 |
solv.nmols = atoi(pcmfile.token);
|
| 455 |
NL;
|
| 456 |
NL;
|
| 457 |
solv.density = atof(pcmfile.token);
|
| 458 |
NL;
|
| 459 |
NL;
|
| 460 |
solv.boxx = atof(pcmfile.token);
|
| 461 |
NL;
|
| 462 |
solv.boxy = atof(pcmfile.token);
|
| 463 |
NL;
|
| 464 |
solv.boxz = atof(pcmfile.token);
|
| 465 |
goto L_30;
|
| 466 |
} else if (strcmp(pcmfile.token, "SS") == 0)
|
| 467 |
{
|
| 468 |
goto L_30;
|
| 469 |
} else if (strcmp(pcmfile.token, "AT") == 0)
|
| 470 |
{
|
| 471 |
NL;
|
| 472 |
newat = atoi(pcmfile.token); // atom serial number
|
| 473 |
if (newat + ioffset > MAXATOM)
|
| 474 |
{
|
| 475 |
message_alert(" Maximum number of atoms exceeded in PCMFIN at atom read","PCM Setup");
|
| 476 |
fprintf(pcmlogfile,"atom read %d %d %d\n",newat,ioffset,natom);
|
| 477 |
natom = ioffset + newat - 1;
|
| 478 |
fclose(pcminfile);
|
| 479 |
exit(0);
|
| 480 |
}
|
| 481 |
newat += ioffset;
|
| 482 |
NL;
|
| 483 |
if (isdigit(*pcmfile.token))
|
| 484 |
{
|
| 485 |
newtype = atoi(pcmfile.token);
|
| 486 |
} else // character string for metal atom
|
| 487 |
{
|
| 488 |
strcpy(ianame,pcmfile.token);
|
| 489 |
isMetal = TRUE;
|
| 490 |
i = strlen(ianame);
|
| 491 |
if ( i == 2)
|
| 492 |
ianame[1] = tolower(ianame[1]);
|
| 493 |
}
|
| 494 |
NL;
|
| 495 |
xtmp = atof(pcmfile.token);
|
| 496 |
NL;
|
| 497 |
ytmp = (atof(pcmfile.token));
|
| 498 |
NL;
|
| 499 |
ztmp = atof(pcmfile.token);
|
| 500 |
NL;
|
| 501 |
if (isMetal == FALSE)
|
| 502 |
{
|
| 503 |
itype = newtype;
|
| 504 |
get_atomname(newtype,ianame);
|
| 505 |
if (default_intype == MM3)
|
| 506 |
itype = mm3_mmxtype(newtype);
|
| 507 |
else if (default_intype == MMFF94)
|
| 508 |
itype = mmff_mmxtype(newtype);
|
| 509 |
|
| 510 |
newatom = make_atom(newtype, xtmp, ytmp, ztmp,ianame);
|
| 511 |
if (default_intype == MM3)
|
| 512 |
set_atomtype(newatom, itype,newtype,0,0,0);
|
| 513 |
else if (default_intype == MMFF94)
|
| 514 |
set_atomtype(newatom, itype,0,newtype,0,0);
|
| 515 |
}else if (isMetal == TRUE)
|
| 516 |
{
|
| 517 |
newatom = make_atom(0, xtmp, ytmp, ztmp,ianame);
|
| 518 |
isMetal = FALSE;
|
| 519 |
last_atom = newatom;
|
| 520 |
}
|
| 521 |
|
| 522 |
L_90:
|
| 523 |
if (strcmp(pcmfile.token, "B") == 0)
|
| 524 |
{
|
| 525 |
/* Reading bonds now */
|
| 526 |
NL;
|
| 527 |
j = 0;
|
| 528 |
L_100:
|
| 529 |
j += 1;
|
| 530 |
if (pcmfile.state == NUMERIC)
|
| 531 |
{
|
| 532 |
ibonded = atoi(pcmfile.token);
|
| 533 |
ibonded += ioffset;
|
| 534 |
} else
|
| 535 |
{
|
| 536 |
goto L_90;
|
| 537 |
}
|
| 538 |
NL;
|
| 539 |
if (pcmfile.state == NUMERIC)
|
| 540 |
{
|
| 541 |
ibondorder = atoi(pcmfile.token);
|
| 542 |
} else
|
| 543 |
{
|
| 544 |
fprintf(stdout, "missing a bondorder, assuming 1\n");
|
| 545 |
goto L_40;
|
| 546 |
}
|
| 547 |
if (newatom < ibonded)
|
| 548 |
make_bond(newatom, ibonded, ibondorder);
|
| 549 |
if (ibondorder == 9)
|
| 550 |
{
|
| 551 |
atom[newatom].flags |= (1L << METCOORD_MASK);
|
| 552 |
atom[ibonded].flags |= (1L << METCOORD_MASK);
|
| 553 |
}
|
| 554 |
NL;
|
| 555 |
goto L_100;
|
| 556 |
}else if ( strcmp(pcmfile.token, "P")== 0)
|
| 557 |
{
|
| 558 |
atom[newatom].flags |= (1L << PI_MASK);
|
| 559 |
NL;
|
| 560 |
goto L_90;
|
| 561 |
}else if (strcmp(pcmfile.token, "D") == 0) // biomolecule marking
|
| 562 |
{
|
| 563 |
NL;
|
| 564 |
NL;
|
| 565 |
goto L_90;
|
| 566 |
}else if (strcmp(pcmfile.token, "N") == 0) // residue number
|
| 567 |
{
|
| 568 |
NL;
|
| 569 |
NL;
|
| 570 |
goto L_90;
|
| 571 |
}else if (strcmp(pcmfile.token,"M")==0)
|
| 572 |
{
|
| 573 |
NL;
|
| 574 |
icoord = atoi(pcmfile.token);
|
| 575 |
if (icoord == 0)
|
| 576 |
{
|
| 577 |
atom[newatom].flags |= (1L << SATMET_MASK);
|
| 578 |
} else if (icoord == 2)
|
| 579 |
{
|
| 580 |
atom[newatom].flags |= (1L << GT18e_MASK);
|
| 581 |
} else{
|
| 582 |
atom[newatom].flags |= (1L << GT18e_MASK);
|
| 583 |
atom[newatom].flags |= (1L << SATMET_MASK);
|
| 584 |
}
|
| 585 |
NL;
|
| 586 |
if (pcmfile.state != 1)
|
| 587 |
goto L_90;
|
| 588 |
ispin = atoi(pcmfile.token);
|
| 589 |
if (ispin == 0)
|
| 590 |
{
|
| 591 |
atom[newatom].flags |= (1L << LOWSPIN_MASK);
|
| 592 |
} else if (ispin == 1)
|
| 593 |
{
|
| 594 |
atom[newatom].flags |= (1L << SQPLAN_MASK);
|
| 595 |
} else
|
| 596 |
{
|
| 597 |
atom[newatom].flags |= (1L << LOWSPIN_MASK);
|
| 598 |
atom[newatom].flags |= (1L << SQPLAN_MASK);
|
| 599 |
}
|
| 600 |
NL;
|
| 601 |
goto L_90;
|
| 602 |
}else if (strcmp(pcmfile.token,"S")== 0)
|
| 603 |
{
|
| 604 |
NL;
|
| 605 |
if (pcmfile.state == NUMERIC)
|
| 606 |
{
|
| 607 |
j = atoi(pcmfile.token);
|
| 608 |
mask = (1L << j);
|
| 609 |
NL;
|
| 610 |
goto L_90;
|
| 611 |
} else
|
| 612 |
{
|
| 613 |
goto L_90;
|
| 614 |
}
|
| 615 |
}else if (strcmp(pcmfile.token,"H")== 0)
|
| 616 |
{
|
| 617 |
atom[newatom].flags |= (1L << HBOND_MASK);
|
| 618 |
NL;
|
| 619 |
goto L_90;
|
| 620 |
}else if (strcmp(pcmfile.token,"C")==0)
|
| 621 |
{
|
| 622 |
NL;
|
| 623 |
atom[newatom].charge = atof(pcmfile.token);
|
| 624 |
NL;
|
| 625 |
goto L_90;
|
| 626 |
} else if (strcmp(pcmfile.token,"ML") == 0)
|
| 627 |
{
|
| 628 |
NL;
|
| 629 |
j = atoi(pcmfile.token);
|
| 630 |
goto L_90;
|
| 631 |
}else if (strcmp(pcmfile.token,"R")== 0)
|
| 632 |
{
|
| 633 |
NL;
|
| 634 |
atom[newatom].radius = atof(pcmfile.token);
|
| 635 |
NL;
|
| 636 |
goto L_90;
|
| 637 |
}
|
| 638 |
} else if (strncasecmp(pcmfile.token, "}",1) == 0)
|
| 639 |
{
|
| 640 |
goto L_170; /* end of structure */
|
| 641 |
} else if (strcmp(pcmfile.token, "FL") == 0)
|
| 642 |
{
|
| 643 |
NL;
|
| 644 |
L_120: if (strcmp(pcmfile.token, "PRINT") == 0)
|
| 645 |
{
|
| 646 |
iprint = 1;
|
| 647 |
NL;
|
| 648 |
if (pcmfile.state == ALPHABETIC)
|
| 649 |
goto L_120;
|
| 650 |
iprint = atoi(pcmfile.token);
|
| 651 |
NL;
|
| 652 |
goto L_120;
|
| 653 |
} else if (strcmp(pcmfile.token, "DIELC") == 0)
|
| 654 |
{
|
| 655 |
NL;
|
| 656 |
if (pcmfile.state != 1)
|
| 657 |
goto L_120;
|
| 658 |
units.dielec = atof(pcmfile.token);
|
| 659 |
NL;
|
| 660 |
goto L_120;
|
| 661 |
} else if (strcmp(pcmfile.token, "UV") == 0)
|
| 662 |
{
|
| 663 |
NL;
|
| 664 |
if (pcmfile.state != 1)
|
| 665 |
goto L_120;
|
| 666 |
// pistuf.iuv = atoi(pcmfile.token);
|
| 667 |
NL;
|
| 668 |
goto L_120;
|
| 669 |
} else if (strcmp(pcmfile.token, "PIPR") == 0)
|
| 670 |
{
|
| 671 |
NL;
|
| 672 |
if (pcmfile.state != 1)
|
| 673 |
goto L_120;
|
| 674 |
// pistuf.jprint = atoi(pcmfile.token);
|
| 675 |
NL;
|
| 676 |
goto L_120;
|
| 677 |
} else if (strcmp(pcmfile.token, "PIPL") == 0)
|
| 678 |
{
|
| 679 |
NL;
|
| 680 |
if (pcmfile.state != 1)
|
| 681 |
goto L_120;
|
| 682 |
// pistuf.nplane = atoi(pcmfile.token);
|
| 683 |
NL;
|
| 684 |
goto L_120;
|
| 685 |
} else if (strcmp(pcmfile.token, "EINT") == 0)
|
| 686 |
{
|
| 687 |
NL;
|
| 688 |
if (pcmfile.state != 1)
|
| 689 |
goto L_120;
|
| 690 |
minim_values.ndc = atoi(pcmfile.token);
|
| 691 |
NL;
|
| 692 |
goto L_120;
|
| 693 |
}
|
| 694 |
} else if (strcmp(pcmfile.token, "CO") == 0)
|
| 695 |
{
|
| 696 |
} else if (strcmp(pcmfile.token, "FBND") == 0)
|
| 697 |
{
|
| 698 |
}
|
| 699 |
goto L_30;
|
| 700 |
L_170:
|
| 701 |
fclose(pcminfile);
|
| 702 |
return;
|
| 703 |
}
|
| 704 |
// ==================================
|
| 705 |
void gettoken()
|
| 706 |
{
|
| 707 |
int foundtoken, i;
|
| 708 |
|
| 709 |
pcmfile.state = 0;
|
| 710 |
foundtoken = -1;
|
| 711 |
strcpy(pcmfile.token, "");
|
| 712 |
for (i = pcmfile.head - 1; i <= strlen(pcmfile.string); i++) {
|
| 713 |
if ((*(pcmfile.string + i) != ':') &&
|
| 714 |
(*(pcmfile.string + i) != ' ') &&
|
| 715 |
(*(pcmfile.string + i) != '\0') &&
|
| 716 |
(*(pcmfile.string + i) != ';') &&
|
| 717 |
(*(pcmfile.string + i) != ',') &&
|
| 718 |
(*(pcmfile.string + i) != '\t')) {
|
| 719 |
if (foundtoken == -1) {
|
| 720 |
foundtoken = i;
|
| 721 |
if (isdigit(*(pcmfile.string + i))) {
|
| 722 |
/* beginning to read a number */
|
| 723 |
pcmfile.state = 1;
|
| 724 |
} else if ((*(pcmfile.string + i) == '.') ||
|
| 725 |
(*(pcmfile.string + i) == '-')) {
|
| 726 |
/* period or dash can't yet tell if
|
| 727 |
* word or number */
|
| 728 |
pcmfile.state = 3;
|
| 729 |
} else {
|
| 730 |
/* must be a word */
|
| 731 |
pcmfile.state = 2;
|
| 732 |
}
|
| 733 |
} else {
|
| 734 |
if (
|
| 735 |
(
|
| 736 |
(pcmfile.state == 2) &&
|
| 737 |
(isdigit(*(pcmfile.string + i)))
|
| 738 |
)
|
| 739 |
||
|
| 740 |
(
|
| 741 |
(pcmfile.state == 1) &&
|
| 742 |
(isalpha(*(pcmfile.string + i)))
|
| 743 |
)
|
| 744 |
) {
|
| 745 |
foundtoken = i;
|
| 746 |
goto L_30;
|
| 747 |
} else if (pcmfile.state == 3) {
|
| 748 |
if (isdigit(*(pcmfile.string + i)) ||
|
| 749 |
*(pcmfile.string + i) == '.') {
|
| 750 |
pcmfile.state = 1;
|
| 751 |
} else {
|
| 752 |
pcmfile.state = 2;
|
| 753 |
}
|
| 754 |
}
|
| 755 |
}
|
| 756 |
strncat(pcmfile.token, pcmfile.string + i, 1);
|
| 757 |
} else if (foundtoken != -1) {
|
| 758 |
foundtoken = i;
|
| 759 |
goto L_30;
|
| 760 |
}
|
| 761 |
}
|
| 762 |
if (foundtoken == -1) {
|
| 763 |
pcmfile.head = 1000;
|
| 764 |
return;
|
| 765 |
}
|
| 766 |
L_30:
|
| 767 |
pcmfile.head = foundtoken + 1;
|
| 768 |
if (pcmfile.state == 2 && !pcmfile.nocaps)
|
| 769 |
{
|
| 770 |
for (i = 0; i < strlen(pcmfile.token); i++)
|
| 771 |
{
|
| 772 |
if (!isupper(*(pcmfile.token + i)))
|
| 773 |
*(pcmfile.token + i) = toupper(*(pcmfile.token + i));
|
| 774 |
}
|
| 775 |
}
|
| 776 |
return;
|
| 777 |
}
|
| 778 |
/* ============================================================ */
|
| 779 |
FILE *pcminfile;
|
| 780 |
/* ============================================================ */
|
| 781 |
void rdfile(int mode, int isub)
|
| 782 |
{
|
| 783 |
if (mode == -1)
|
| 784 |
fclose(pcminfile);
|
| 785 |
else if (mode == 0)
|
| 786 |
{
|
| 787 |
pcminfile = fopen_path(Openbox.path,Openbox.fname, "r");
|
| 788 |
|
| 789 |
if (pcminfile == NULL)
|
| 790 |
{
|
| 791 |
message_alert("Error Opening PCM file","Error");
|
| 792 |
return;
|
| 793 |
}
|
| 794 |
} else
|
| 795 |
rdpcm(mode,isub);
|
| 796 |
}
|
| 797 |
/* ============================================================ */
|
| 798 |
void rdpcm(int nth,int isubred)
|
| 799 |
{
|
| 800 |
int i, ibondcount, ibonded, ibondorder,imetcount, ioffset,
|
| 801 |
isubmap[MAXSS], j, numbonds, niatom;
|
| 802 |
int newat, newtype, isMetal;
|
| 803 |
long int mask;
|
| 804 |
char ianame[3];
|
| 805 |
float ddcount, xtmp, ytmp, ztmp;
|
| 806 |
|
| 807 |
imetcount = 0;
|
| 808 |
isMetal = FALSE;
|
| 809 |
ddcount = 0;
|
| 810 |
pcmfile.nocaps = False;
|
| 811 |
numbonds = 0;
|
| 812 |
ibondcount = 0;
|
| 813 |
for (i = 0; i < MAXSS; i++)
|
| 814 |
{
|
| 815 |
isubmap[i] = 0;
|
| 816 |
}
|
| 817 |
|
| 818 |
if( isubred == 1 )
|
| 819 |
{
|
| 820 |
ioffset = natom;
|
| 821 |
}
|
| 822 |
else
|
| 823 |
{
|
| 824 |
ioffset = 0;
|
| 825 |
}
|
| 826 |
|
| 827 |
|
| 828 |
FetchRecord(pcminfile,pcmfile.string);
|
| 829 |
L_30:
|
| 830 |
FetchRecord(pcminfile,pcmfile.string);
|
| 831 |
*(pcmfile.string + strlen(pcmfile.string) ) = '\0';
|
| 832 |
if (feof(pcminfile))
|
| 833 |
goto L_170;
|
| 834 |
pcmfile.head = 1;
|
| 835 |
NL;
|
| 836 |
L_40:
|
| 837 |
if (strcmp(pcmfile.token, "NA") == 0)
|
| 838 |
{
|
| 839 |
gettoken();
|
| 840 |
if (pcmfile.head == 1000)
|
| 841 |
goto L_30;
|
| 842 |
niatom = atoi(pcmfile.token);
|
| 843 |
niatom += ioffset;
|
| 844 |
NL;
|
| 845 |
goto L_30;
|
| 846 |
} else if (strcmp(pcmfile.token,"ATOMTYPES") == 0)
|
| 847 |
{
|
| 848 |
gettoken();
|
| 849 |
if (pcmfile.head == 1000)
|
| 850 |
goto L_30;
|
| 851 |
default_intype = atoi(pcmfile.token);
|
| 852 |
NL;
|
| 853 |
goto L_30;
|
| 854 |
} else if (strcmp(pcmfile.token, "NT") == 0) /* This is for Amino Acids */
|
| 855 |
{
|
| 856 |
NL;
|
| 857 |
i = atoi(pcmfile.token); /* i is atom number of N terminus */
|
| 858 |
mask = 1L << NTERM; /* use bit 0 of substr 1 for N terminus*/
|
| 859 |
atom[i+ioffset].flags |= mask;
|
| 860 |
|
| 861 |
NL;
|
| 862 |
if (strcmp(pcmfile.token, "CT") == 0)
|
| 863 |
{
|
| 864 |
NL;
|
| 865 |
i = atoi(pcmfile.token); /* i is atom number of C terminus */
|
| 866 |
mask = 1L << CNTERM; /* use bit 1 of substr 1 for C terminus */
|
| 867 |
atom[i+ioffset].flags |= mask;
|
| 868 |
}
|
| 869 |
} else if (strcmp(pcmfile.token, "OT") == 0) /* This is for Sugars */
|
| 870 |
{
|
| 871 |
NL;
|
| 872 |
i = atoi(pcmfile.token); /* i is atom number of O terminus */
|
| 873 |
mask = 1L << OTERM; /* use bit 0 of substr 1 for O terminus*/
|
| 874 |
atom[i+ioffset].flags |= mask;
|
| 875 |
|
| 876 |
NL;
|
| 877 |
if (strcmp(pcmfile.token, "CT") == 0)
|
| 878 |
{
|
| 879 |
NL;
|
| 880 |
i = atoi(pcmfile.token); /* i is atom number of H terminus */
|
| 881 |
mask = 1L << COTERM; /* use bit 1 of substr 1 for H terminus */
|
| 882 |
atom[i+ioffset].flags |= mask;
|
| 883 |
}
|
| 884 |
} else if (strcmp(pcmfile.token,"START") == 0) /* flag for polybuild */
|
| 885 |
{
|
| 886 |
NL;
|
| 887 |
i = atoi(pcmfile.token);
|
| 888 |
mask = 1L << DUMMY;
|
| 889 |
atom[i+ioffset].flags |= mask;
|
| 890 |
NL; // END
|
| 891 |
NL;
|
| 892 |
i = atoi(pcmfile.token);
|
| 893 |
mask = 1L << DUMMY;
|
| 894 |
atom[i+ioffset].flags |= mask;
|
| 895 |
|
| 896 |
} else if (strcmp(pcmfile.token, "SS") == 0)
|
| 897 |
{
|
| 898 |
goto L_30;
|
| 899 |
} else if (strcmp(pcmfile.token, "AT") == 0)
|
| 900 |
{
|
| 901 |
NL;
|
| 902 |
newat = atoi(pcmfile.token); // atom serial number
|
| 903 |
if (newat + ioffset > MAXATOM)
|
| 904 |
{
|
| 905 |
message_alert(" Maximum number of atoms exceeded in PCMFIN at atom read","Error");
|
| 906 |
fprintf(pcmlogfile,"atom read %d %d %d\n",newat,ioffset,natom);
|
| 907 |
natom = ioffset + newat - 1;
|
| 908 |
fclose(pcminfile);
|
| 909 |
exit(0);
|
| 910 |
}
|
| 911 |
newat += ioffset;
|
| 912 |
NL;
|
| 913 |
if (isdigit(*pcmfile.token))
|
| 914 |
{
|
| 915 |
newtype = atoi(pcmfile.token);
|
| 916 |
} else // character string for metal atom
|
| 917 |
{
|
| 918 |
strcpy(ianame,pcmfile.token);
|
| 919 |
isMetal = TRUE;
|
| 920 |
}
|
| 921 |
NL;
|
| 922 |
xtmp = atof(pcmfile.token);
|
| 923 |
NL;
|
| 924 |
ytmp = (atof(pcmfile.token));
|
| 925 |
NL;
|
| 926 |
ztmp = atof(pcmfile.token);
|
| 927 |
NL;
|
| 928 |
atom[newat].x = xtmp;
|
| 929 |
atom[newat].y = ytmp;
|
| 930 |
atom[newat].z = ztmp;
|
| 931 |
|
| 932 |
L_90:
|
| 933 |
if (strcmp(pcmfile.token, "B") == 0)
|
| 934 |
{
|
| 935 |
/* Reading bonds now */
|
| 936 |
NL;
|
| 937 |
j = 0;
|
| 938 |
L_100:
|
| 939 |
j += 1;
|
| 940 |
if (pcmfile.state == NUMERIC)
|
| 941 |
{
|
| 942 |
ibonded = atoi(pcmfile.token);
|
| 943 |
ibonded += ioffset;
|
| 944 |
} else
|
| 945 |
{
|
| 946 |
goto L_90;
|
| 947 |
}
|
| 948 |
NL;
|
| 949 |
if (pcmfile.state == NUMERIC)
|
| 950 |
{
|
| 951 |
ibondorder = atoi(pcmfile.token);
|
| 952 |
} else
|
| 953 |
{
|
| 954 |
fprintf(stdout, "missing a bondorder, assuming 1\n");
|
| 955 |
goto L_40;
|
| 956 |
}
|
| 957 |
NL;
|
| 958 |
goto L_100;
|
| 959 |
}else if ( strcmp(pcmfile.token, "P")== 0)
|
| 960 |
{
|
| 961 |
NL;
|
| 962 |
goto L_90;
|
| 963 |
}else if (strcmp(pcmfile.token, "D") == 0) // biomolecule marking
|
| 964 |
{
|
| 965 |
NL;
|
| 966 |
NL;
|
| 967 |
goto L_90;
|
| 968 |
}else if (strcmp(pcmfile.token,"M")==0)
|
| 969 |
{
|
| 970 |
NL;
|
| 971 |
NL;
|
| 972 |
if (pcmfile.state != 1)
|
| 973 |
goto L_90;
|
| 974 |
NL;
|
| 975 |
goto L_90;
|
| 976 |
}else if (strcmp(pcmfile.token,"S")== 0)
|
| 977 |
{
|
| 978 |
NL;
|
| 979 |
if (pcmfile.state == NUMERIC)
|
| 980 |
{
|
| 981 |
NL;
|
| 982 |
goto L_90;
|
| 983 |
} else
|
| 984 |
{
|
| 985 |
goto L_90;
|
| 986 |
}
|
| 987 |
}else if (strcmp(pcmfile.token,"H")== 0)
|
| 988 |
{
|
| 989 |
NL;
|
| 990 |
goto L_90;
|
| 991 |
}else if (strcmp(pcmfile.token,"C")==0)
|
| 992 |
{
|
| 993 |
NL;
|
| 994 |
NL;
|
| 995 |
goto L_90;
|
| 996 |
}else if (strcmp(pcmfile.token,"R")== 0)
|
| 997 |
{
|
| 998 |
NL;
|
| 999 |
NL;
|
| 1000 |
goto L_90;
|
| 1001 |
}
|
| 1002 |
} else if (strncmp(pcmfile.token, "}",1) == 0)
|
| 1003 |
{
|
| 1004 |
goto L_170; /* end of structure */
|
| 1005 |
} else if (strcmp(pcmfile.token, "FL") == 0)
|
| 1006 |
{
|
| 1007 |
NL;
|
| 1008 |
L_120: if (strcmp(pcmfile.token, "PRINT") == 0)
|
| 1009 |
{
|
| 1010 |
NL;
|
| 1011 |
if (pcmfile.state == ALPHABETIC)
|
| 1012 |
goto L_120;
|
| 1013 |
NL;
|
| 1014 |
goto L_120;
|
| 1015 |
} else if (strcmp(pcmfile.token, "DIELC") == 0)
|
| 1016 |
{
|
| 1017 |
NL;
|
| 1018 |
if (pcmfile.state != 1)
|
| 1019 |
goto L_120;
|
| 1020 |
NL;
|
| 1021 |
goto L_120;
|
| 1022 |
} else if (strcmp(pcmfile.token, "UV") == 0)
|
| 1023 |
{
|
| 1024 |
NL;
|
| 1025 |
if (pcmfile.state != 1)
|
| 1026 |
goto L_120;
|
| 1027 |
NL;
|
| 1028 |
goto L_120;
|
| 1029 |
} else if (strcmp(pcmfile.token, "PIPR") == 0)
|
| 1030 |
{
|
| 1031 |
NL;
|
| 1032 |
if (pcmfile.state != 1)
|
| 1033 |
goto L_120;
|
| 1034 |
NL;
|
| 1035 |
goto L_120;
|
| 1036 |
} else if (strcmp(pcmfile.token, "PIPL") == 0)
|
| 1037 |
{
|
| 1038 |
NL;
|
| 1039 |
if (pcmfile.state != 1)
|
| 1040 |
goto L_120;
|
| 1041 |
NL;
|
| 1042 |
goto L_120;
|
| 1043 |
} else if (strcmp(pcmfile.token, "EINT") == 0)
|
| 1044 |
{
|
| 1045 |
NL;
|
| 1046 |
if (pcmfile.state != 1)
|
| 1047 |
goto L_120;
|
| 1048 |
NL;
|
| 1049 |
goto L_120;
|
| 1050 |
}
|
| 1051 |
} else if (strcmp(pcmfile.token, "CO") == 0)
|
| 1052 |
{
|
| 1053 |
} else if (strcmp(pcmfile.token, "FBND") == 0)
|
| 1054 |
{
|
| 1055 |
NL;
|
| 1056 |
NL;
|
| 1057 |
NL;
|
| 1058 |
NL;
|
| 1059 |
NL;
|
| 1060 |
NL;
|
| 1061 |
NL;
|
| 1062 |
NL;
|
| 1063 |
NL;
|
| 1064 |
NL;
|
| 1065 |
NL;
|
| 1066 |
NL;
|
| 1067 |
NL;
|
| 1068 |
NL;
|
| 1069 |
NL;
|
| 1070 |
goto L_30; // get another line
|
| 1071 |
} else if (strcmp(pcmfile.token, "FIX") == 0)
|
| 1072 |
{
|
| 1073 |
NL;
|
| 1074 |
if (strcmp(pcmfile.token, "DIS") == 0)
|
| 1075 |
{
|
| 1076 |
NL;
|
| 1077 |
NL;
|
| 1078 |
NL;
|
| 1079 |
L_1223: if (strcmp(pcmfile.token, "R") == 0)
|
| 1080 |
{
|
| 1081 |
NL;
|
| 1082 |
NL;
|
| 1083 |
goto L_1223;
|
| 1084 |
} else if (strcmp(pcmfile.token, "K") == 0)
|
| 1085 |
{
|
| 1086 |
NL;
|
| 1087 |
NL;
|
| 1088 |
goto L_1223;
|
| 1089 |
}
|
| 1090 |
}
|
| 1091 |
} else if (strcmp(pcmfile.token, "DD") == 0)
|
| 1092 |
{
|
| 1093 |
if (isubred == 1)
|
| 1094 |
goto L_30;
|
| 1095 |
|
| 1096 |
NL;
|
| 1097 |
|
| 1098 |
if (pcmfile.state == NUMERIC)
|
| 1099 |
{
|
| 1100 |
NL;
|
| 1101 |
NL;
|
| 1102 |
NL;
|
| 1103 |
NL;
|
| 1104 |
L_150: if (strcmp(pcmfile.token, "FROM") == 0)
|
| 1105 |
{
|
| 1106 |
NL;
|
| 1107 |
NL;
|
| 1108 |
goto L_150;
|
| 1109 |
} else if (strcmp(pcmfile.token, "TO") == 0)
|
| 1110 |
{
|
| 1111 |
NL;
|
| 1112 |
NL;
|
| 1113 |
goto L_150;
|
| 1114 |
} else if (strcmp(pcmfile.token, "BY") == 0)
|
| 1115 |
{
|
| 1116 |
NL;
|
| 1117 |
NL;
|
| 1118 |
goto L_150;
|
| 1119 |
}
|
| 1120 |
}
|
| 1121 |
}
|
| 1122 |
goto L_30;
|
| 1123 |
L_170:
|
| 1124 |
return;
|
| 1125 |
}
|
