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; |