| 17 |
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GNU General Public License for more details. |
| 18 |
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***********************************************************************/ |
| 19 |
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|
| 20 |
< |
#include "babelconfig.hpp" |
| 20 |
> |
#include "config.h" |
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#include "matrix3x3.hpp" |
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#include "vector3.hpp" |
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#include "mol.hpp" |
| 288 |
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string error = "Unable to open file \'"; |
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error += filename; |
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error += "\' in read mode"; |
| 291 |
< |
obErrorLog.ThrowError(__FUNCTION__, error, obError); |
| 291 |
> |
obErrorLog.ThrowError(__func__, error, obError); |
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return(false); |
| 293 |
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} |
| 294 |
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|
| 314 |
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string error = "Unable to open file \'"; |
| 315 |
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error += filename; |
| 316 |
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error += "\' in write mode"; |
| 317 |
< |
obErrorLog.ThrowError(__FUNCTION__, error, obError); |
| 317 |
> |
obErrorLog.ThrowError(__func__, error, obError); |
| 318 |
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return(false); |
| 319 |
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} |
| 320 |
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|
| 404 |
|
if (vic.empty()) |
| 405 |
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return; |
| 406 |
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|
| 407 |
< |
obErrorLog.ThrowError(__FUNCTION__, |
| 407 |
> |
obErrorLog.ThrowError(__func__, |
| 408 |
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"Ran OpenBabel::InternalToCartesian", obAuditMsg); |
| 409 |
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|
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for (atom = mol.BeginAtom(i);atom;atom = mol.NextAtom(i)) |
| 485 |
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OBAtom *atom,*nbr,*ref; |
| 486 |
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vector<OBNodeBase*>::iterator i,j,m; |
| 487 |
|
|
| 488 |
< |
obErrorLog.ThrowError(__FUNCTION__, |
| 488 |
> |
obErrorLog.ThrowError(__func__, |
| 489 |
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"Ran OpenBabel::CartesianToInternal", obAuditMsg); |
| 490 |
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|
| 491 |
|
//set reference atoms |