Changeset 1b5a40

Timestamp:

Apr 15, 2013, 6:13:46 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:

a3fc46

Parents:

eb32b6

git-author:

Frederik Heber <heber@…> (03/09/13 13:08:18)

git-committer:

Frederik Heber <heber@…> (04/15/13 18:13:46)

Message:

VERBOSE: Changed verbosity of Summation process to make a lot less noise on default setting.

Location:

src

Files:

• Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) (9 diffs)
• Fragmentation/Summation/IndexSetContainer.cpp (modified) (1 diff)
• Fragmentation/Summation/OrthogonalSummation_impl.hpp (modified) (4 diffs)
• Fragmentation/Summation/SetValue.hpp (modified) (2 diffs)
• Fragmentation/Summation/SetValues/Histogram.cpp (modified) (5 diffs)
• Fragmentation/Summation/SubsetMap.cpp (modified) (3 diffs)
• Fragmentation/Summation/Summation_impl.hpp (modified) (4 diffs)

src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp

@@ -112 +112 @@
         writeTable<MPQCDataEnergyMap_t, MPQCDataEnergyVector_noeigenvalues_t >()(
             results.Result_Energy_fused, results.getMaxLevel());
-    LOG(0, "Energy table is \n" << energyresult);
+    LOG(2, "DEBUG: Energy table is \n" << energyresult);
     std::string filename;
     filename += FRAGMENTPREFIX + std::string("_Energy.dat");
@@ -125 +125 @@
         writeTable<MPQCDataEnergyMap_t, MPQCDataEigenvalues_t >()(
             results.Result_Energy_fused, results.getMaxLevel());
-    LOG(0, "Eigenvalue table is \n" << eigenvalueresult);
+    LOG(2, "DEBUG: Eigenvalue table is \n" << eigenvalueresult);
     std::string filename;
     filename += FRAGMENTPREFIX + std::string("_Eigenvalues.dat");
@@ -138 +138 @@
         writeTable<MPQCDataEnergyMap_t, MPQCDataEigenhistogram_t >()(
             results.Result_Energy_fused, results.getMaxLevel());
-    LOG(0, "Eigenhistogram table is \n" << eigenhistogramresult);
+    LOG(2, "DEBUG: Eigenhistogram table is \n" << eigenhistogramresult);
     std::string filename;
     filename += FRAGMENTPREFIX + std::string("_Eigenhistogram.dat");
@@ -151 +151 @@
         writeTable<MPQCDataEnergyMap_t, MPQCDataEigenvalues_t >()(
             results.Result_Energy_fused, results.getMaxLevel());
-    LOG(0, "Eigenvalue table is \n" << eigenvalueresult);
+    LOG(2, "DEBUG: Eigenvalue table is \n" << eigenvalueresult);
     std::string filename;
     filename += FRAGMENTPREFIX + std::string("_Eigenvalues.dat");
@@ -161 +161 @@
         writeTable<MPQCDataForceMap_t, MPQCDataForceVector_t>()(
             results.Result_Force_fused, results.getMaxLevel());
-    LOG(0, "Force table is \n" << forceresult);
+    LOG(2, "DEBUG: Force table is \n" << forceresult);
     std::string filename;
     filename += FRAGMENTPREFIX + std::string("_Forces.dat");
@@ -176 +176 @@
         writeTable<MPQCDataTimeMap_t, MPQCDataTimeVector_noflops_t >()(
             results.Result_Time_fused, results.getMaxLevel());
-    LOG(0, "Times table is \n" << timesresult);
+    LOG(2, "DEBUG: Times table is \n" << timesresult);
     std::string filename;
     filename += FRAGMENTPREFIX + std::string("_Times.dat");
@@ -198 +198 @@
         writeTable<VMGDataMap_t, VMGDataVector_t >()(
             results.Result_LongRange_fused, results.getMaxLevel(), 2);
-    LOG(0, "VMG table is \n" << gridresult);
+    LOG(2, "DEBUG: VMG table is \n" << gridresult);
     std::string filename;
     filename += FRAGMENTPREFIX + std::string("_VMGEnergy.dat");
@@ -209 +209 @@
         writeTable<VMGDataLongRangeMap_t, VMGDataLongRangeVector_t >()(
             results.Result_LongRangeIntegrated_fused, results.getMaxLevel(), 2);
-    LOG(0, "LongRange table is \n" << gridresult);
+    LOG(2, "DEBUG: LongRange table is \n" << gridresult);
     std::string filename;
     filename += FRAGMENTPREFIX + std::string("_LongRangeEnergy.dat");
@@ -277 +277 @@
   homology_container.insert(values);
 
-  LOG(1, "INFO: Listing all present atomic ids ...");
-  std::stringstream output;
-  for (World::AtomIterator iter = World::getInstance().getAtomIter();
-      iter != World::getInstance().atomEnd(); ++iter)
-    output << (*iter)->getId() << " ";
-  LOG(1, "INFO: { " << output.str() << "} .");
+  if (DoLog(2)) {
+    LOG(2, "DEBUG: Listing all present atomic ids ...");
+    std::stringstream output;
+    for (World::AtomIterator iter = World::getInstance().getAtomIter();
+        iter != World::getInstance().atomEnd(); ++iter)
+      output << (*iter)->getId() << " ";
+    LOG(2, "DEBUG: { " << output.str() << "} .");
+  }
 
   // for debugging: print container
-  LOG(1, "INFO: Listing all present homologies ...");
-  for (HomologyContainer::container_t::const_iterator iter =
-      homology_container.begin(); iter != homology_container.end(); ++iter) {
-    LOG(1, "INFO: graph " << iter->first << " has Fragment "
-        << iter->second.first << " and associated energy " << iter->second.second << ".");
+  if (DoLog(2)) {
+    LOG(2, "DEBUG: Listing all present homologies ...");
+    for (HomologyContainer::container_t::const_iterator iter =
+        homology_container.begin(); iter != homology_container.end(); ++iter) {
+      LOG(2, "DEBUG: graph " << iter->first << " has Fragment "
+          << iter->second.first << " and associated energy " << iter->second.second << ".");
+    }
   }
 

src/Fragmentation/Summation/IndexSetContainer.cpp

@@ -56 +56 @@
         _AllIndices->insert((Index_t)*keyiter);
     }
-  LOG(1, "INFO: AllIndices is " << *_AllIndices << ".");
+  LOG(2, "DEBUG: AllIndices is " << *_AllIndices << ".");
 
   return _AllIndices;

src/Fragmentation/Summation/OrthogonalSummation_impl.hpp

@@ -19 +19 @@
 
 #include "Fragmentation/Summation/ZeroInstance.hpp"
+#include "Fragmentation/Summation/printKeyNames.hpp"
 
 /** Constructor of class OrthogonalSummation.
@@ -42 +43 @@
     subsetmap.reset(new SubsetMap(container));
   } else {
-    LOG(1, "INFO: Using given SubsetMap.");
+    LOG(2, "DEBUG: Using given SubsetMap for " << printKeyNames::printName<T>() << ".");
   }
   /// instantiate all SubSetValue's by requesting the IndexSet from the Subsetmap
@@ -48 +49 @@
   typename InputValues_t::iterator valueiter = values.begin();
   for (;valueiter != values.end(); ++indexiter, ++valueiter) {
-    LOG(1, "INFO: Adding set " << **indexiter << " with value " << *valueiter << ".");
+    LOG(2, "DEBUG: Adding set " << **indexiter << " with value " << *valueiter << ".");
     setvalues.addValue( *indexiter, *valueiter );
   }
@@ -71 +72 @@
   if (iter->first->size() <= level)
     sum = (iter->second)->getContribution();
-  LOG(1, "DEBUG: Contribution from subset "+toString(*(iter->second->getIndexSet()))
+  LOG(3, "DEBUG: Contribution from subset "+toString(*(iter->second->getIndexSet()))
       +" is "+toString(sum)+".");
   for(++iter;(iter != setvalues.end()) && (iter->first->size() <= level); ++iter) {
     const T tempvalue = (iter->second)->getContribution();
     sum += tempvalue;
-    LOG(1, "DEBUG: Contribution from subset "+toString(*(iter->second->getIndexSet()))
+    LOG(3, "DEBUG: Contribution from subset "+toString(*(iter->second->getIndexSet()))
         +" is "+toString(tempvalue)+".");
   }

src/Fragmentation/Summation/SetValue.hpp

@@ -111 +111 @@
    */
   const T calcSum() {
-    LOG(1, "INFO: Summing up contribution for " << *indices << ".");
+    LOG(2, "DEBUG: Summing up contribution for " << *indices << ".");
     // we initialize with value
     T result = getValue();
@@ -120 +120 @@
       for (IndexSetContainer::Container_t::const_iterator iter = subsets.begin();
           iter != subsets.end(); ++iter) {
-        LOG(2, "INFO: Current subset is " << **iter << ".");
+        LOG(3, "DEBUG: Current subset is " << **iter << ".");
         // NOTE: our subset is not contained in the number of subsets
         typename SetValue<T>::ptr ptr = lookupValue(*iter);

src/Fragmentation/Summation/SetValues/Histogram.cpp

@@ -226 +226 @@
     ASSERT( loweriter->first < upperiter->first,
         "Histogram::superposeOtherHistogram() - the bin range is invalid.");
-    LOG(4, "DEBUG: bin range here is ["
+    LOG(5, "DEBUG: bin range here is ["
         << loweriter->first << ","  << upperiter->first << ").");
 
@@ -240 +240 @@
       if (offsets.back() != nextbin.first)
         offsets.push_back(nextbin.first);
-      LOG(3, "DEBUG: Offsets are " << offsets << ".");
+      LOG(4, "DEBUG: Offsets are " << offsets << ".");
     }
 
@@ -258 +258 @@
       std::stringstream output;
       std::for_each( bins.begin(), bins.end(), PrintPair<Bin_t>(output));
-      LOG(2, "DEBUG: Bins are after summation " << output.str() << ".");
+      LOG(3, "DEBUG: Bins are after summation " << output.str() << ".");
     }
   }
@@ -278 +278 @@
 {
   superposeOtherHistogram(other, +1.);
-  LOG(2, "DEBUG: Bins after addition are " << printBins() << ".");
+  LOG(3, "DEBUG: Bins after addition are " << printBins() << ".");
   return *this;
 }
@@ -285 +285 @@
 {
   superposeOtherHistogram(other, -1.);
-  LOG(2, "DEBUG: Bins after subtraction are " << printBins() << ".");
+  LOG(3, "DEBUG: Bins after subtraction are " << printBins() << ".");
   return *this;
 }

src/Fragmentation/Summation/SubsetMap.cpp

@@ -79 +79 @@
   // get the sets size and the size of the power sets
   const size_t SetSize = ptr->size();
-  LOG(1, "INFO: Current set to gather all subsets for is " << *ptr << " with size " << SetSize << ".");
+  LOG(2, "DEBUG: Current set to gather all subsets for is " << *ptr << " with size " << SetSize << ".");
   const size_t NoPowerSubsets = getNoPowerSets(SetSize);
-  LOG(1, "INFO: There are " << NoPowerSubsets << " sets to check for containment.");
+  LOG(2, "DEBUG: There are " << NoPowerSubsets << " sets to check for containment.");
   std::vector<IndexSet> returnsets;
   // sets is the number of possible subsets to check: NotContained means still
@@ -102 +102 @@
         "SubsetMap::gatherSubsets() - distance from begin to iterator is not correct.");
     *tempset = getSubset(*ptr, index );
-    LOG(2, "INFO: Current subset is " << *tempset << " at " << index << ".");
+    LOG(3, "DEBUG: Current subset is " << *tempset << " at " << index << ".");
     // check whether IndexSet is contained and known
     if (ptr->contains(*tempset)) {
       // mark as contained
       *iter = Contained;
-      LOG(3, "DEBUG: Marking subset as Contained.");
+      LOG(4, "DEBUG: Marking subset as Contained.");
       if (Lookup.count(tempset)) {
-        LOG(2, "DEBUG: Subset is present in Lookup, adding.");
+        LOG(3, "DEBUG: Subset is present in Lookup, adding.");
         returnsets.push_back(*tempset);
         // if so, also add its contained sets and mark them out
         const IndexSetContainer::Container_t &container = getSubsets(tempset)->getContainer();
         if (container.size()) {
-          LOG(2, "DEBUG: Subset is also present in Lookup, adding all its subsets");
+          LOG(3, "DEBUG: Subset is also present in Lookup, adding all its subsets");
           for(IndexSetContainer::Container_t::const_iterator containeriter = container.begin();
               containeriter != container.end();
               ++containeriter) {
             const size_t subindex = getPowerSetIndex(ptr, **containeriter);
-            LOG(4, "INFO: Current subset of subset is " << **containeriter << " at " << subindex << ".");
+            LOG(5, "INFO: Current subset of subset is " << **containeriter << " at " << subindex << ".");
             if (sets[subindex] != Contained) {
-              LOG(5, "DEBUG: Setting power subset to Contained.");
+              LOG(6, "DEBUG: Setting power subset to Contained.");
               sets[subindex] = Contained;
               returnsets.push_back(**containeriter);
@@ -130 +130 @@
     }
   }
-  LOG(1, "INFO: Adding " << returnsets.size() << " sets to Lookup for set " << *ptr << ".");
+  LOG(2, "DEBUG: Adding " << returnsets.size() << " sets to Lookup for set " << *ptr << ".");
   Lookup.insert( std::make_pair(ptr, IndexSetContainer::ptr(new IndexSetContainer(returnsets))) );
 }

src/Fragmentation/Summation/Summation_impl.hpp

@@ -17 +17 @@
 #include "CodePatterns/IteratorAdaptors.hpp"
 #include "CodePatterns/Log.hpp"
+
+#include "Fragmentation/Summation/printKeyNames.hpp"
 
 /** Constructor of class Summation.
@@ -40 +42 @@
     subsetmap.reset(new SubsetMap(container));
   } else {
-    LOG(1, "INFO: Using given SubsetMap.");
+    LOG(2, "DEBUG: Using given SubsetMap for " << printKeyNames::printName<T>() << ".");
   }
   /// instantiate all SubSetValue's by requesting the IndexSet from the Subsetmap
@@ -46 +48 @@
   typename InputValues_t::iterator valueiter = values.begin();
   for (;valueiter != values.end(); ++indexiter, ++valueiter) {
-    LOG(1, "INFO: Adding set " << **indexiter << " with value " << *valueiter << ".");
+    LOG(2, "DEBUG: Adding set " << **indexiter << " with value " << *valueiter << ".");
     setvalues.addValue( *indexiter, *valueiter );
   }
@@ -69 +71 @@
   if (iter->first->size() <= level)
     sum = (iter->second)->getValue();
-  LOG(1, "DEBUG: Value from subset "+toString(*(iter->second->getIndexSet()))
+  LOG(3, "DEBUG: Value from subset "+toString(*(iter->second->getIndexSet()))
       +" is "+toString(sum)+".");
   for(++iter;(iter != setvalues.end()) && (iter->first->size() <= level); ++iter) {
     const T tempvalue = (iter->second)->getValue();
     sum += tempvalue;
-    LOG(1, "DEBUG: Value from subset "+toString(*(iter->second->getIndexSet()))
+    LOG(3, "DEBUG: Value from subset "+toString(*(iter->second->getIndexSet()))
         +" is "+toString(tempvalue)+".");
   }