| # | Line 26 | Line 26 | |
|---|---|---|
| 26 | } logp_calc; | |
| 27 | ||
| 28 | // ============================ | |
| 29 | < | |
| 29 | > | void quick_type(void); |
| 30 | int read_sdf(int,int); | |
| 31 | int rd_sdf(FILE *); | |
| 32 | void write_sdf(int); | |
| # | Line 434 | Line 434 | |
| 434 | // if (has_aromatic) | |
| 435 | // need to deal with aromatic bonds | |
| 436 | L_DONE: | |
| 437 | + | quick_type(); |
| 438 | if (has_Aromatic) | |
| 439 | { | |
| 440 | mopaco(1,natom); | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |