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GNU General Public License for more details. |
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***********************************************************************/ |
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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"; |
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< |
obErrorLog.ThrowError(__FUNCTION__, error, obError); |
291 |
> |
obErrorLog.ThrowError(__func__, error, obError); |
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return(false); |
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} |
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string error = "Unable to open file \'"; |
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error += filename; |
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error += "\' in write mode"; |
317 |
< |
obErrorLog.ThrowError(__FUNCTION__, error, obError); |
317 |
> |
obErrorLog.ThrowError(__func__, error, obError); |
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return(false); |
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} |
320 |
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404 |
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if (vic.empty()) |
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return; |
406 |
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407 |
< |
obErrorLog.ThrowError(__FUNCTION__, |
407 |
> |
obErrorLog.ThrowError(__func__, |
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"Ran OpenBabel::InternalToCartesian", obAuditMsg); |
409 |
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for (atom = mol.BeginAtom(i);atom;atom = mol.NextAtom(i)) |
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OBAtom *atom,*nbr,*ref; |
486 |
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vector<OBNodeBase*>::iterator i,j,m; |
487 |
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488 |
< |
obErrorLog.ThrowError(__FUNCTION__, |
488 |
> |
obErrorLog.ThrowError(__func__, |
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"Ran OpenBabel::CartesianToInternal", obAuditMsg); |
490 |
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//set reference atoms |