Changeset a2a2f7 for src/Fragmentation/Fragmentation.cpp

Timestamp:

Apr 29, 2014, 12:42:43 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, 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:

ae68b5

Parents:

c9db50

git-author:

Frederik Heber <heber@…> (02/01/14 15:42:09)

git-committer:

Frederik Heber <heber@…> (04/29/14 12:42:43)

Message:

Huge warning fix.

• fixed unused variables.
• fixed set but unused variables.
• fixed signed vs. unsigned int comparison.
• fixed static_warning_test<false, 98> (commented out _IMPLEMENT).

File:

• src/Fragmentation/Fragmentation.cpp (modified) (3 diffs)

src/Fragmentation/Fragmentation.cpp

@@ -235 +235 @@
   Info FunctionInfo(__func__);
   std::vector<Graph*> *FragmentLowerOrdersList = NULL;
-  int NumLevels = 0;
-  int NumMolecules = 0;
-  int TotalNumMolecules = 0;
+  size_t NumLevels = 0;
+//  size_t NumMolecules = 0;
+  size_t TotalNumMolecules = 0;
   int *NumMoleculesOfOrder = NULL;
   int Order = 0;
@@ -296 +296 @@
       // output resulting number
       LOG(1, "INFO: Number of resulting KeySets is: " << NumMoleculesOfOrder[RootNr] << ".");
-      if (NumMoleculesOfOrder[RootNr] != 0) {
-        NumMolecules = 0;
-      }
+//      if (NumMoleculesOfOrder[RootNr] != 0) {
+//        NumMolecules = 0;
+//      }
       // now, we have completely filled each cell of FragmentLowerOrdersList[] for the current Walker->AdaptiveOrder
       //NumMoleculesOfOrder[Walker->AdaptiveOrder-1] = NumMolecules;
@@ -441 +441 @@
   }
   LOG(1, output.str());
+  return true;
 };