Changeset aa36cc for molecuilder/src/analysis_bonds.cpp

Timestamp:

May 19, 2010, 6:46:52 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

11cb98

Parents:

9bb477 (diff), d79e591 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

git-author:

Frederik Heber <heber@…> (05/19/10 18:45:23)

git-committer:

Frederik Heber <heber@…> (05/19/10 18:46:52)

Message:

Merge branch 'StructureRefactoring' into CommandLineActionMapping

Conflicts:

molecuilder/src/atom_particleinfo.cpp
molecuilder/src/builder.cpp

The following conflicts were solved:

• in atom_particleinfo constructor the bugfix could not be merged automatically
• in builder.cpp at the end of main() cleanup and memory:getstate() were still present.

File:

• molecuilder/src/analysis_bonds.cpp (modified) (1 diff)

molecuilder/src/analysis_bonds.cpp

@@ -181 +181 @@
                     // check angle
                     if (CheckHydrogenBridgeBondAngle(Walker, OtherAtom, Runner)) {
-                      DoLog(1) && (Log() << Verbose(1) << Walker->Name << ", " << OtherAtom->Name << " and " << Runner->Name << " has a hydrogen bridge bond with distance " << sqrt(distance) << " and angle " << CalculateAngle(&OtherAtom->x, &Walker->x, &Runner->x)*(180./M_PI) << "." << endl);
+                      DoLog(1) && (Log() << Verbose(1) << Walker->getName() << ", " << OtherAtom->getName() << " and " << Runner->getName() << " has a hydrogen bridge bond with distance " << sqrt(distance) << " and angle " << CalculateAngle(&OtherAtom->x, &Walker->x, &Runner->x)*(180./M_PI) << "." << endl);
                       count++;
                       break;