Changeset 12f57b for molecuilder/src/boundary.cpp
- Timestamp:
- Mar 18, 2010, 11:33:54 AM (16 years ago)
- Children:
- 6acc8e4
- Parents:
- f87c2a
- git-author:
- Frederik Heber <heber@…> (03/18/10 10:26:55)
- git-committer:
- Frederik Heber <heber@…> (03/18/10 11:33:54)
- File:
-
- 1 edited
-
molecuilder/src/boundary.cpp (modified) (6 diffs)
Legend:
- Unmodified
- Added
- Removed
-
molecuilder/src/boundary.cpp
rf87c2a r12f57b 342 342 for (Boundaries::iterator runner = BoundaryPoints[axis].begin(); runner != BoundaryPoints[axis].end(); runner++) 343 343 if (!TesselStruct->AddBoundaryPoint(runner->second.second, 0)) 344 eLog() << Verbose(2) << "Point " << *(runner->second.second) << " is already present!" << endl;344 DoeLog(2) && (eLog()<< Verbose(2) << "Point " << *(runner->second.second) << " is already present!" << endl); 345 345 346 346 Log() << Verbose(0) << "I found " << TesselStruct->PointsOnBoundaryCount << " points on the convex boundary." << endl; … … 362 362 // 3c. check whether all atoms lay inside the boundary, if not, add to boundary points, segment triangle into three with the new point 363 363 if (!TesselStruct->InsertStraddlingPoints(mol, LCList)) 364 eLog() << Verbose(1) << "Insertion of straddling points failed!" << endl;364 DoeLog(1) && (eLog()<< Verbose(1) << "Insertion of straddling points failed!" << endl); 365 365 366 366 Log() << Verbose(0) << "I created " << TesselStruct->TrianglesOnBoundary.size() << " intermediate triangles with " << TesselStruct->LinesOnBoundary.size() << " lines and " << TesselStruct->PointsOnBoundary.size() << " points." << endl; … … 401 401 // flip the line 402 402 if (TesselStruct->PickFarthestofTwoBaselines(line) == 0.) 403 eLog() << Verbose(1) << "Correction of concave baselines failed!" << endl;403 DoeLog(1) && (eLog()<< Verbose(1) << "Correction of concave baselines failed!" << endl); 404 404 else { 405 405 TesselStruct->FlipBaseline(line); … … 456 456 457 457 if ((TesselStruct == NULL) || (TesselStruct->PointsOnBoundary.empty())) { 458 eLog() << Verbose(1) << "TesselStruct is empty." << endl;458 DoeLog(1) && (eLog()<< Verbose(1) << "TesselStruct is empty." << endl); 459 459 return false; 460 460 } … … 521 521 // check whether there is something to work on 522 522 if (TesselStruct == NULL) { 523 eLog() << Verbose(1) << "TesselStruct is empty!" << endl;523 DoeLog(1) && (eLog()<< Verbose(1) << "TesselStruct is empty!" << endl); 524 524 return volume; 525 525 } … … 748 748 Log() << Verbose(1) << "Minimum volume of the convex envelope contained in a rectangular box is " << minimumvolume << " atomicmassunit/" << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl; 749 749 if (minimumvolume > cellvolume) { 750 eLog() << Verbose(1) << "the containing box already has a greater volume than the envisaged cell volume!" << endl;750 DoeLog(1) && (eLog()<< Verbose(1) << "the containing box already has a greater volume than the envisaged cell volume!" << endl); 751 751 Log() << Verbose(0) << "Setting Box dimensions to minimum possible, the greatest diameters." << endl; 752 752 for (int i = 0; i < NDIM; i++)
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