Changeset 58ed4a for src/boundary.cpp

Timestamp:

Mar 18, 2010, 11:33:54 AM (15 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

b48ba6

Parents:

7ee87f

git-author:

Frederik Heber <heber@…> (03/18/10 10:26:55)

git-committer:

Frederik Heber <heber@…> (03/18/10 11:33:54)

Message:

Log() and eLog() are prepended by a DoLog()/DoeLog() construct.

• Most of the run time (95%) is spent on verbosity that it is discarded anyway due to a low verbosity setting. However, the operator << is evaluated from the right-hand side, hence the whole message is constructed and then thrown away.
• DoLog() and DoeLog() are new functions that check the verbosity beforehand and are used as follows: DoLog(2) && (Log() << verbose(2) << "message" << endl);

Signed-off-by: Frederik Heber <heber@…>

File:

• src/boundary.cpp (modified) (6 diffs)

src/boundary.cpp

@@ -342 +342 @@
     for (Boundaries::iterator runner = BoundaryPoints[axis].begin(); runner != BoundaryPoints[axis].end(); runner++)
         if (!TesselStruct->AddBoundaryPoint(runner->second.second, 0))
-          eLog() << Verbose(2) << "Point " << *(runner->second.second) << " is already present!" << endl;
+          DoeLog(2) && (eLog()<< Verbose(2) << "Point " << *(runner->second.second) << " is already present!" << endl);
 
   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
   if (!TesselStruct->InsertStraddlingPoints(mol, LCList))
-    eLog() << Verbose(1) << "Insertion of straddling points failed!" << endl;
+    DoeLog(1) && (eLog()<< Verbose(1) << "Insertion of straddling points failed!" << endl);
 
   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
         if (TesselStruct->PickFarthestofTwoBaselines(line) == 0.)
-          eLog() << Verbose(1) << "Correction of concave baselines failed!" << endl;
+          DoeLog(1) && (eLog()<< Verbose(1) << "Correction of concave baselines failed!" << endl);
         else {
           TesselStruct->FlipBaseline(line);
@@ -456 +456 @@
 
   if ((TesselStruct == NULL) || (TesselStruct->PointsOnBoundary.empty())) {
-    eLog() << Verbose(1) << "TesselStruct is empty." << endl;
+    DoeLog(1) && (eLog()<< Verbose(1) << "TesselStruct is empty." << endl);
     return false;
   }
@@ -521 +521 @@
   // check whether there is something to work on
   if (TesselStruct == NULL) {
-    eLog() << Verbose(1) << "TesselStruct is empty!" << endl;
+    DoeLog(1) && (eLog()<< Verbose(1) << "TesselStruct is empty!" << endl);
     return volume;
   }
@@ -748 +748 @@
   Log() << Verbose(1) << "Minimum volume of the convex envelope contained in a rectangular box is " << minimumvolume << " atomicmassunit/" << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl;
   if (minimumvolume > cellvolume) {
-    eLog() << Verbose(1) << "the containing box already has a greater volume than the envisaged cell volume!" << endl;
+    DoeLog(1) && (eLog()<< Verbose(1) << "the containing box already has a greater volume than the envisaged cell volume!" << endl);
     Log() << Verbose(0) << "Setting Box dimensions to minimum possible, the greatest diameters." << endl;
     for (int i = 0; i < NDIM; i++)