Changeset 28e203 for src/Fragmentation/Homology/unittests

Timestamp:

Dec 14, 2012, 5:39:42 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:

91a565

Parents:

d058e6

git-author:

Frederik Heber <heber@…> (09/28/12 16:22:03)

git-committer:

Frederik Heber <heber@…> (12/14/12 17:39:42)

Message:

FIX: nodes_t and edges_t in HomologyGraph must be a map.

• there may be multiples of the same node or edge. Hence, now we store the count in a map.
• changed operator<<() accordingly.

Location:

src/Fragmentation/Homology/unittests

Files:

• HomologyContainerUnitTest.cpp (modified) (1 diff)
• HomologyGraphUnitTest.cpp (modified) (1 diff)

src/Fragmentation/Homology/unittests/HomologyContainerUnitTest.cpp

@@ -68 +68 @@
   // add nodes
   nodes +=
-      FragmentNode(1,1),
-      FragmentNode(1,4),
-      FragmentNode(2,2),
-      FragmentNode(2,4);
+      std::make_pair(FragmentNode(1,1),1),
+      std::make_pair(FragmentNode(1,4),1),
+      std::make_pair(FragmentNode(2,2),1),
+      std::make_pair(FragmentNode(2,4),1);
   othernodes +=
-      FragmentNode(1,1),
-      FragmentNode(1,4);
+      std::make_pair(FragmentNode(1,1),1),
+      std::make_pair(FragmentNode(1,4),1);
 
   // add edges
   edges +=
-      FragmentEdge(1,1),
-      FragmentEdge(1,4),
-      FragmentEdge(2,2),
-      FragmentEdge(2,4);
+      std::make_pair(FragmentEdge(1,1),1),
+      std::make_pair(FragmentEdge(1,4),1),
+      std::make_pair(FragmentEdge(2,2),1),
+      std::make_pair(FragmentEdge(2,4),1);
   otheredges +=
-      FragmentEdge(1,4),
-      FragmentEdge(2,2);
+      std::make_pair(FragmentEdge(1,4),1),
+      std::make_pair(FragmentEdge(2,2),1);
 
   // construct graphs

src/Fragmentation/Homology/unittests/HomologyGraphUnitTest.cpp

@@ -71 +71 @@
 
   // add nodes
-  nodes += FragmentNode(1,1),FragmentNode(1,4), FragmentNode(2,2), FragmentNode(2,4);
-  othernodes += FragmentNode(1,1),FragmentNode(1,4);
+  nodes +=
+      std::make_pair(FragmentNode(1,1),1),
+      std::make_pair(FragmentNode(1,4),1),
+      std::make_pair(FragmentNode(2,2),1),
+      std::make_pair(FragmentNode(2,4),1);
+  othernodes +=
+      std::make_pair(FragmentNode(1,1),1),
+      std::make_pair(FragmentNode(1,4),1);
 
   // add edges
-  edges += FragmentEdge(1,1),FragmentEdge(1,4), FragmentEdge(2,2), FragmentEdge(2,4);
-  otheredges += FragmentEdge(1,4),FragmentEdge(2,2);
+  edges +=
+      std::make_pair(FragmentEdge(1,1),1),
+      std::make_pair(FragmentEdge(1,4),1),
+      std::make_pair(FragmentEdge(2,2),1),
+      std::make_pair(FragmentEdge(2,4),1);
+  otheredges +=
+      std::make_pair(FragmentEdge(1,4),1),
+      std::make_pair(FragmentEdge(2,2),1);
 
   // construct graph