Changeset 47d041 for src/linkedcell.cpp

Timestamp:

Nov 3, 2011, 7:44:01 PM (14 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:

41a467

Parents:

50e4e5

git-author:

Frederik Heber <heber@…> (10/27/11 11:53:58)

git-committer:

Frederik Heber <heber@…> (11/03/11 19:44:01)

Message:

HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and ELOG().

• Replaced DoLog(.) && (Log() << Verbose(.) << ... << std::endl) by Log(., ...).
• Replaced Log() << Verbose(.) << .. << by Log(., ...)
• on multiline used stringstream to generate and message which was finally used in LOG(., output.str())
• there should be no more occurence of Log(). LOG() and ELOG() must be used instead.
• Eventually, this will allow for storing all errors and re-printing them on program exit which would be very helpful to ascertain error-free runs for the user.

File:

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

src/linkedcell.cpp

@@ -59 +59 @@
   max.Zero();
   min.Zero();
-  DoLog(1) && (Log() << Verbose(1) << "Begin of LinkedCell" << endl);
+  LOG(1, "Begin of LinkedCell");
   if (set.IsEmpty()) {
-    DoeLog(1) && (eLog()<< Verbose(1) << "set is NULL or contains no linked cell nodes!" << endl);
+    ELOG(1, "set is NULL or contains no linked cell nodes!");
     return;
   }
@@ -82 +82 @@
     set.GoToNext();
   }
-  DoLog(2) && (Log() << Verbose(2) << "Bounding box is " << min << " and " << max << "." << endl);
+  LOG(2, "Bounding box is " << min << " and " << max << ".");
 
   // 2. find then number of cells per axis
@@ -88 +88 @@
     N[i] = static_cast<int>(floor((max[i] - min[i])/RADIUS)+1);
   }
-  DoLog(2) && (Log() << Verbose(2) << "Number of cells per axis are " << N[0] << ", " << N[1] << " and " << N[2] << "." << endl);
+  LOG(2, "Number of cells per axis are " << N[0] << ", " << N[1] << " and " << N[2] << ".");
 
   // 3. allocate the lists
-  DoLog(2) && (Log() << Verbose(2) << "Allocating cells ... ");
+  LOG(2, "INFO: Allocating cells ... ");
   if (LC != NULL) {
-    DoeLog(1) && (eLog()<< Verbose(1) << "Linked Cell list is already allocated, I do nothing." << endl);
+    ELOG(1, "Linked Cell list is already allocated, I do nothing.");
     return;
   }
@@ -101 +101 @@
     LC [index].clear();
   }
-  DoLog(0) && (Log() << Verbose(0) << "done."  << endl);
+  LOG(0, "done.");
 
   // 4. put each atom into its respective cell
-  DoLog(2) && (Log() << Verbose(2) << "Filling cells ... ");
+  LOG(2, "INFO: Filling cells ... ");
   set.GoToFirst();
   while (!set.IsEnd()) {
@@ -113 +113 @@
     index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
     LC[index].push_back(Walker);
-    //Log() << Verbose(2) << *Walker << " goes into cell " << n[0] << ", " << n[1] << ", " << n[2] << " with No. " << index << "." << endl;
+    //LOG(2, *Walker << " goes into cell " << n[0] << ", " << n[1] << ", " << n[2] << " with No. " << index << ".");
     set.GoToNext();
   }
-  DoLog(0) && (Log() << Verbose(0) << "done."  << endl);
-  DoLog(1) && (Log() << Verbose(1) << "End of LinkedCell" << endl);
+  LOG(0, "done.");
+  LOG(1, "End of LinkedCell");
 };
 
@@ -143 +143 @@
     status = status && ((n[i] >=0) && (n[i] < N[i]));
 //  if (!status)
-//    DoeLog(1) && (eLog()<< Verbose(1) << "indices are out of bounds!" << endl);
+//    ELOG(1, "indices are out of bounds!");
   return status;
 };
@@ -216 +216 @@
     return status;
   } else {
-    DoeLog(1) && (eLog()<< Verbose(1) << "Node at " << *Walker << " is out of bounds." << endl);
+    ELOG(1, "Node at " << *Walker << " is out of bounds.");
     return false;
   }
@@ -239 +239 @@
     if (upper[i] < 0)
       upper[i] = 0;
-    //Log() << Verbose(0) << "axis " << i << " has bounds [" << lower[i] << "," << upper[i] << "]" << endl;
+    //LOG(0, "axis " << i << " has bounds [" << lower[i] << "," << upper[i] << "]");
   }
 };
@@ -257 +257 @@
   GetNeighbourBounds(Nlower, Nupper, step);
 
-  //Log() << Verbose(0) << endl;
   for (n[0] = Nlower[0]; n[0] <= Nupper[0]; n[0]++)
     for (n[1] = Nlower[1]; n[1] <= Nupper[1]; n[1]++)
       for (n[2] = Nlower[2]; n[2] <= Nupper[2]; n[2]++) {
         const TesselPointSTLList *List = GetCurrentCell();
-        //Log() << Verbose(1) << "Current cell is " << n[0] << ", " << n[1] << ", " << n[2] << " with No. " << index << "." << endl;
+        //LOG(1, "Current cell is " << n[0] << ", " << n[1] << ", " << n[2] << " with No. " << index << ".");
         if (List != NULL) {
           for (TesselPointSTLList::const_iterator Runner = List->begin(); Runner != List->end(); Runner++) {
@@ -336 +335 @@
   const double dist = SetClosestIndexToOutsideVector(center);
   if (dist > 2.*radius) {
-    DoeLog(1) && (eLog()<< Verbose(1) << "Vector " << *center << " is too far away from any atom in LinkedCell's bounding box." << endl);
+    ELOG(1, "Vector " << *center << " is too far away from any atom in LinkedCell's bounding box.");
     return TesselList;
   } else
-    DoLog(1) && (Log() << Verbose(1) << "Distance of closest cell to center of sphere with radius " << radius << " is " << dist << "." << endl);
+    LOG(1, "Distance of closest cell to center of sphere with radius " << radius << " is " << dist << ".");
 
   // gather all neighbours first, then look who fulfills distance criteria
   NeighbourList = GetallNeighbours(2.*radius-dist);
-  //Log() << Verbose(1) << "I found " << NeighbourList->size() << " neighbours to check." << endl;
+  //LOG(1, "I found " << NeighbourList->size() << " neighbours to check.");
   if (NeighbourList != NULL) {
     for (TesselPointSTLList::const_iterator Runner = NeighbourList->begin(); Runner != NeighbourList->end(); Runner++) {
       Walker = *Runner;
-      //Log() << Verbose(1) << "Current neighbour is at " << *Walker->node << "." << endl;
+      //LOG(1, "Current neighbour is at " << *Walker->node << ".");
       if ((Walker->DistanceSquared(*center) - radiusSquared) < MYEPSILON) {
         TesselList->push_back(Walker);
@@ -354 +353 @@
     delete(NeighbourList);
   } else
-    DoeLog(2) && (eLog()<< Verbose(2) << "Around vector " << *center << " there are no atoms." << endl);
+    ELOG(2, "Around vector " << *center << " there are no atoms.");
   return TesselList;
 };