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root/OpenMD/trunk/src/openbabel/chiral.cpp
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Comparing trunk/src/openbabel/chiral.cpp (file contents):
Revision 741 by tim, Wed Nov 16 19:42:11 2005 UTC vs.
Revision 819 by tim, Fri Dec 16 21:52:50 2005 UTC

# Line 36 | Line 36 | void OBMol::FindChiralCenters()
36          return;
37      SetChiralityPerceived();
38  
39 <    obErrorLog.ThrowError(__FUNCTION__,
39 >    obErrorLog.ThrowError(__func__,
40                            "Ran OpenBabel::FindChiralCenters", obAuditMsg);
41  
42      //do quick test to see if there are any possible chiral centers
# Line 280 | Line 280 | double CalcSignedVolume(OBMol &mol,OBAtom *atm)
280        strstream errorMsg;
281   #endif
282        errorMsg << "Cannot calculate a signed volume for an atom with a heavy atom valence of " << atm->GetHvyValence() << endl;
283 <      obErrorLog.ThrowError(__FUNCTION__, errorMsg.str(), obInfo);
283 >      obErrorLog.ThrowError(__func__, errorMsg.str(), obInfo);
284        return(0.0);
285      }
286  
# Line 313 | Line 313 | double CalcSignedVolume(OBMol &mol,OBAtom *atm)
313          if (nbr_crds[j]==0 && use_central_atom==false)use_central_atom=true;
314          else if (nbr_crds[j]==0)
315            {
316 <            obErrorLog.ThrowError(__FUNCTION__, "More than 2 neighbours have 0 co-ords when attempting 3D chiral calculation", obInfo);
316 >            obErrorLog.ThrowError(__func__, "More than 2 neighbours have 0 co-ords when attempting 3D chiral calculation", obInfo);
317            }
318      }
319  

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