| 230 |
|
itype = 42; // O- |
| 231 |
|
} |
| 232 |
|
} |
| 233 |
– |
|
| 233 |
|
newatom = make_atom(itype,xtmp,ytmp,ztmp,atomchar); |
| 234 |
|
if (itype != 0) |
| 235 |
|
atom[newatom].mmx_type = itype; |
| 291 |
|
{ |
| 292 |
|
if (strncasecmp(inputline,"$$$$",4) == 0) |
| 293 |
|
{ |
| 294 |
< |
return Ret_Val; |
| 294 |
> |
goto L_DONE; |
| 295 |
|
} else if (inputline[0] == '>') |
| 296 |
|
{ |
| 297 |
|
get_tag(inputline,tag); |
| 433 |
|
} |
| 434 |
|
// if (has_aromatic) |
| 435 |
|
// need to deal with aromatic bonds |
| 436 |
+ |
L_DONE: |
| 437 |
|
if (has_Aromatic) |
| 438 |
+ |
{ |
| 439 |
|
mopaco(1,natom); |
| 440 |
+ |
} |
| 441 |
|
return Ret_Val; |
| 442 |
|
} |
| 443 |
|
// ===================== |
