Changeset e11e23

Timestamp:

Nov 8, 2012, 1:13:53 PM (12 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:

cf18c5

Parents:

e4048f

git-author:

Frederik Heber <heber@…> (07/27/12 14:20:24)

git-committer:

Frederik Heber <heber@…> (11/08/12 13:13:53)

Message:

Commented-out most of the debug messages in Histogram functions.

File:

• src/Fragmentation/Histogram/Histogram.cpp (modified) (10 diffs)

src/Fragmentation/Histogram/Histogram.cpp

@@ -104 +104 @@
     ASSERT((maxiter != samples.end()) || (miniter != samples.end()),
         "Histogram::Histogram() - cannot find min/max despite non-empty range.");
-    LOG(1, "DEBUG: min is " << *miniter << " and max is " << *maxiter << ".");
+//    LOG(1, "DEBUG: min is " << *miniter << " and max is " << *maxiter << ".");
     // as the logic to calculate is a bit more complex, we cannot (sensibly) place
     // it in the cstor call in the init list above. However, the binwidth is from
@@ -129 +129 @@
     LOG(2, "DEBUG: Bins are " << printBins() << ".");
   } else {
-    LOG(1, "INFO: Given vector of samples is empty.");
+//    LOG(1, "INFO: Given vector of samples is empty.");
   }
 }
@@ -150 +150 @@
         offset += binwidth)
       bins.insert( std::make_pair (offset, 0. ) );
-    LOG(2, "DEBUG: Bins after adding empties before start are " << printBins() << ".");
+//    LOG(2, "DEBUG: Bins after adding empties before start are " << printBins() << ".");
     loweriter = getLowerEndBin(LowerEnd);
     ASSERT( loweriter != bins.end(),
@@ -161 +161 @@
         offset += binwidth)
       bins.insert( std::make_pair (offset, 0. ) );
-    LOG(2, "DEBUG: Bins after adding empties after end are " << printBins() << ".");
+//    LOG(2, "DEBUG: Bins after adding empties after end are " << printBins() << ".");
     upperiter = getHigherEndBin(NextLowerEnd);
     ASSERT( upperiter != bins.end(),
@@ -178 +178 @@
     const Bin_t &nextbin = *biniter;
 
-    LOG(2, "DEBUG: Current bin is " << bin << ", next bin is " << nextbin << ".");
+//    LOG(2, "DEBUG: Current bin is " << bin << ", next bin is " << nextbin << ".");
 
     // Check first whether start or end actually fit into our histogram, if not extend.
@@ -191 +191 @@
     ASSERT( loweriter->first < upperiter->first,
         "Histogram::superposeOtherHistogram() - the bin range is invalid.");
-    LOG(2, "DEBUG: bin range here is ["
-        << loweriter->first << ","  << upperiter->first << ").");
+//    LOG(2, "DEBUG: bin range here is ["
+//        << loweriter->first << ","  << upperiter->first << ").");
 
     // Next, we create a vector of offsets
@@ -205 +205 @@
       if (offsets.back() != nextbin.first)
         offsets.push_back(nextbin.first);
-      LOG(2, "DEBUG: Offsets are " << offsets << ".");
+//      LOG(2, "DEBUG: Offsets are " << offsets << ".");
     }
 
@@ -231 +231 @@
 {
   superposeOtherHistogram(other, +1.);
+  LOG(2, "DEBUG: Bins after addition are " << printBins() << ".");
   return *this;
 }
@@ -237 +238 @@
 {
   superposeOtherHistogram(other, -1.);
+  LOG(2, "DEBUG: Bins after subtraction are " << printBins() << ".");
   return *this;
 }
@@ -288 +290 @@
   // then divide by binwidth
   const int integral = floor(start/binwidth);
-  //const double fraction = start - (double)integral;
+  //const double fraction = fmod(start,binwidth);
   start = offset + binwidth*integral;
   return start;