Changeset a67d19 for src/linkedcell.cpp

Timestamp:

Apr 22, 2010, 2:00:03 PM (16 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, Candidate_v1.7.0, 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:

299554

Parents:

6613ec

Message:

Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) << ...);

Most of the files are affected, but this is necessary as if DoLog() says verbosity is not enough, all the stream operators won"t get executed which saves substantial amount of computation time.

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

File:

• src/linkedcell.cpp (modified) (11 diffs)

src/linkedcell.cpp

@@ -45 +45 @@
   max.Zero();
   min.Zero();
-  Log() << Verbose(1) << "Begin of LinkedCell" << endl;
+  DoLog(1) && (Log() << Verbose(1) << "Begin of LinkedCell" << endl);
   if ((set == NULL) || (set->IsEmpty())) {
     DoeLog(1) && (eLog()<< Verbose(1) << "set is NULL or contains no linked cell nodes!" << endl);
@@ -68 +68 @@
     set->GoToNext();
   }
-  Log() << Verbose(2) << "Bounding box is " << min << " and " << max << "." << endl;
+  DoLog(2) && (Log() << Verbose(2) << "Bounding box is " << min << " and " << max << "." << endl);
 
   // 2. find then number of cells per axis
@@ -74 +74 @@
     N[i] = (int)floor((max.x[i] - min.x[i])/RADIUS)+1;
   }
-  Log() << Verbose(2) << "Number of cells per axis are " << N[0] << ", " << N[1] << " and " << N[2] << "." << endl;
+  DoLog(2) && (Log() << Verbose(2) << "Number of cells per axis are " << N[0] << ", " << N[1] << " and " << N[2] << "." << endl);
 
   // 3. allocate the lists
-  Log() << Verbose(2) << "Allocating cells ... ";
+  DoLog(2) && (Log() << Verbose(2) << "Allocating cells ... ");
   if (LC != NULL) {
     DoeLog(1) && (eLog()<< Verbose(1) << "Linked Cell list is already allocated, I do nothing." << endl);
@@ -86 +86 @@
     LC [index].clear();
   }
-  Log() << Verbose(0) << "done."  << endl;
+  DoLog(0) && (Log() << Verbose(0) << "done."  << endl);
 
   // 4. put each atom into its respective cell
-  Log() << Verbose(2) << "Filling cells ... ";
+  DoLog(2) && (Log() << Verbose(2) << "Filling cells ... ");
   set->GoToFirst();
   while (!set->IsEnd()) {
@@ -101 +101 @@
     set->GoToNext();
   }
-  Log() << Verbose(0) << "done."  << endl;
-  Log() << Verbose(1) << "End of LinkedCell" << endl;
+  DoLog(0) && (Log() << Verbose(0) << "done."  << endl);
+  DoLog(1) && (Log() << Verbose(1) << "End of LinkedCell" << endl);
 };
 
@@ -120 +120 @@
   max.Zero();
   min.Zero();
-  Log() << Verbose(1) << "Begin of LinkedCell" << endl;
+  DoLog(1) && (Log() << Verbose(1) << "Begin of LinkedCell" << endl);
   if (set->empty()) {
     DoeLog(1) && (eLog()<< Verbose(1) << "set contains no linked cell nodes!" << endl);
@@ -140 +140 @@
     }
   }
-  Log() << Verbose(2) << "Bounding box is " << min << " and " << max << "." << endl;
+  DoLog(2) && (Log() << Verbose(2) << "Bounding box is " << min << " and " << max << "." << endl);
 
   // 2. find then number of cells per axis
@@ -146 +146 @@
     N[i] = (int)floor((max.x[i] - min.x[i])/RADIUS)+1;
   }
-  Log() << Verbose(2) << "Number of cells per axis are " << N[0] << ", " << N[1] << " and " << N[2] << "." << endl;
+  DoLog(2) && (Log() << Verbose(2) << "Number of cells per axis are " << N[0] << ", " << N[1] << " and " << N[2] << "." << endl);
 
   // 3. allocate the lists
-  Log() << Verbose(2) << "Allocating cells ... ";
+  DoLog(2) && (Log() << Verbose(2) << "Allocating cells ... ");
   if (LC != NULL) {
     DoeLog(1) && (eLog()<< Verbose(1) << "Linked Cell list is already allocated, I do nothing." << endl);
@@ -158 +158 @@
     LC [index].clear();
   }
-  Log() << Verbose(0) << "done."  << endl;
+  DoLog(0) && (Log() << Verbose(0) << "done."  << endl);
 
   // 4. put each atom into its respective cell
-  Log() << Verbose(2) << "Filling cells ... ";
+  DoLog(2) && (Log() << Verbose(2) << "Filling cells ... ");
   for (LinkedNodes::iterator Runner = set->begin(); Runner != set->end(); Runner++) {
     Walker = *Runner;
@@ -171 +171 @@
     //Log() << Verbose(2) << *Walker << " goes into cell " << n[0] << ", " << n[1] << ", " << n[2] << " with No. " << index << "." << endl;
   }
-  Log() << Verbose(0) << "done."  << endl;
-  Log() << Verbose(1) << "End of LinkedCell" << endl;
+  DoLog(0) && (Log() << Verbose(0) << "done."  << endl);
+  DoLog(1) && (Log() << Verbose(1) << "End of LinkedCell" << endl);
 };
 
@@ -399 +399 @@
     return TesselList;
   } else
-    Log() << Verbose(1) << "Distance of closest cell to center of sphere with radius " << radius << " is " << dist << "." << endl;
+    DoLog(1) && (Log() << Verbose(1) << "Distance of closest cell to center of sphere with radius " << radius << " is " << dist << "." << endl);
 
   // gather all neighbours first, then look who fulfills distance criteria