Changeset 418117a for molecuilder/src/molecule.cpp
- Timestamp:
- Nov 23, 2009, 6:22:33 PM (16 years ago)
- Children:
- 3d4969
- Parents:
- 09d3b8
- File:
-
- 1 edited
-
molecuilder/src/molecule.cpp (modified) (7 diffs)
Legend:
- Unmodified
- Added
- Removed
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molecuilder/src/molecule.cpp
r09d3b8 r418117a 192 192 BondRescale = TopOrigin->type->HBondDistance[TopBond->BondDegree-1]; 193 193 if (BondRescale == -1) { 194 eLog() << Verbose( 3) << "ERROR:There is no typical hydrogen bond distance in replacing bond (" << TopOrigin->Name << "<->" << TopReplacement->Name << ") of degree " << TopBond->BondDegree << "!" << endl;194 eLog() << Verbose(1) << "There is no typical hydrogen bond distance in replacing bond (" << TopOrigin->Name << "<->" << TopReplacement->Name << ") of degree " << TopBond->BondDegree << "!" << endl; 195 195 return false; 196 196 BondRescale = bondlength; … … 235 235 SecondOtherAtom = (*Runner)->GetOtherAtom(TopOrigin); 236 236 } else { 237 Log() << Verbose(3) << "WARNING:Detected more than four bonds for atom " << TopOrigin->Name;237 eLog() << Verbose(2) << "Detected more than four bonds for atom " << TopOrigin->Name; 238 238 } 239 239 } … … 272 272 bondangle = TopOrigin->type->HBondAngle[1]; 273 273 if (bondangle == -1) { 274 Log() << Verbose(3) << "ERROR:There is no typical hydrogen bond angle in replacing bond (" << TopOrigin->Name << "<->" << TopReplacement->Name << ") of degree " << TopBond->BondDegree << "!" << endl;274 eLog() << Verbose(1) << "There is no typical hydrogen bond angle in replacing bond (" << TopOrigin->Name << "<->" << TopReplacement->Name << ") of degree " << TopBond->BondDegree << "!" << endl; 275 275 return false; 276 276 bondangle = 0; … … 394 394 break; 395 395 default: 396 eLog() << Verbose( 0) << "ERROR:BondDegree does not state single, double or triple bond!" << endl;396 eLog() << Verbose(1) << "BondDegree does not state single, double or triple bond!" << endl; 397 397 AllWentWell = false; 398 398 break; … … 541 541 add(Binder, last); 542 542 } else { 543 eLog() << Verbose(1) << " ERROR:Could not add bond between " << atom1->Name << " and " << atom2->Name << " as one or both are not present in the molecule." << endl;543 eLog() << Verbose(1) << "Could not add bond between " << atom1->Name << " and " << atom2->Name << " as one or both are not present in the molecule." << endl; 544 544 } 545 545 return Binder; … … 619 619 AtomCount--; 620 620 } else 621 eLog() << Verbose( 0) << "ERROR:Atom " << pointer->Name << " is of element " << pointer->type->Z << " but the entry in the table of the molecule is 0!" << endl;621 eLog() << Verbose(1) << "Atom " << pointer->Name << " is of element " << pointer->type->Z << " but the entry in the table of the molecule is 0!" << endl; 622 622 if (ElementsInMolecule[pointer->type->Z] == 0) // was last atom of this element? 623 623 ElementCount--; … … 637 637 ElementsInMolecule[pointer->type->Z]--; // decrease number of atom of this element 638 638 else 639 eLog() << Verbose( 0) << "ERROR:Atom " << pointer->Name << " is of element " << pointer->type->Z << " but the entry in the table of the molecule is 0!" << endl;639 eLog() << Verbose(1) << "Atom " << pointer->Name << " is of element " << pointer->type->Z << " but the entry in the table of the molecule is 0!" << endl; 640 640 if (ElementsInMolecule[pointer->type->Z] == 0) // was last atom of this element? 641 641 ElementCount--;
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