| 21 |
|
#pragma warning (disable : 4786) |
| 22 |
|
#endif |
| 23 |
|
|
| 24 |
< |
#include "babelconfig.hpp" |
| 24 |
> |
#include "config.h" |
| 25 |
|
#include "data.hpp" |
| 26 |
|
#include "mol.hpp" |
| 27 |
|
|
| 79 |
|
OBElementTable::OBElementTable() |
| 80 |
|
{ |
| 81 |
|
_init = false; |
| 82 |
< |
_dir = BABEL_DATADIR; |
| 83 |
< |
_envvar = "BABEL_DATADIR"; |
| 82 |
> |
STR_DEFINE(_dir, FRC_PATH); |
| 83 |
> |
_envvar = "FORCE_PARAM_PATH"; |
| 84 |
|
_filename = "element.txt"; |
| 85 |
|
_subdir = "data"; |
| 86 |
|
_dataptr = ElementData; |
| 331 |
|
OBIsotopeTable::OBIsotopeTable() |
| 332 |
|
{ |
| 333 |
|
_init = false; |
| 334 |
< |
_dir = BABEL_DATADIR; |
| 335 |
< |
_envvar = "BABEL_DATADIR"; |
| 334 |
> |
STR_DEFINE(_dir, FRC_PATH); |
| 335 |
> |
_envvar = "FORCE_PARAM_PATH"; |
| 336 |
|
_filename = "isotope.txt"; |
| 337 |
|
_subdir = "data"; |
| 338 |
|
_dataptr = IsotopeData; |
| 435 |
|
OBTypeTable::OBTypeTable() |
| 436 |
|
{ |
| 437 |
|
_init = false; |
| 438 |
< |
_dir = BABEL_DATADIR; |
| 439 |
< |
_envvar = "BABEL_DATADIR"; |
| 438 |
> |
STR_DEFINE(_dir, FRC_PATH); |
| 439 |
> |
_envvar = "FORCE_PARAM_PATH"; |
| 440 |
|
_filename = "types.txt"; |
| 441 |
|
_subdir = "data"; |
| 442 |
|
_dataptr = TypesData; |
| 590 |
|
OBResidueData::OBResidueData() |
| 591 |
|
{ |
| 592 |
|
_init = false; |
| 593 |
< |
_dir = BABEL_DATADIR; |
| 594 |
< |
_envvar = "BABEL_DATADIR"; |
| 593 |
> |
STR_DEFINE(_dir, FRC_PATH); |
| 594 |
> |
_envvar = "FORCE_PARAM_PATH"; |
| 595 |
|
_filename = "resdata.txt"; |
| 596 |
|
_subdir = "data"; |
| 597 |
|
_dataptr = ResidueData; |