Changeset 12a24c for src/Fragmentation/Homology/unittests

Timestamp:

Dec 13, 2012, 9:32:50 AM (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:

79ac03

Parents:

67db80

git-author:

Frederik Heber <heber@…> (09/27/12 13:52:16)

git-committer:

Frederik Heber <heber@…> (12/13/12 09:32:50)

Message:

Added serialization to HomologyContainer and completed HomologyContainerUnitTest.

• Added specific operator==() to HomologyContainer as multimap's values' ordering is not guaranteed and boost::serialization does not adhere to it (simple copy of multimap probably maintains the ordering).
• added InsertionTest, EqualityTest, and serializeTest().

Location:

src/Fragmentation/Homology/unittests

Files:

• HomologyContainerUnitTest.cpp (modified) (3 diffs)
• HomologyContainerUnitTest.hpp (modified) (2 diffs)
• Makefile.am (modified) (1 diff)

src/Fragmentation/Homology/unittests/HomologyContainerUnitTest.cpp

@@ -43 +43 @@
 #include <boost/archive/text_iarchive.hpp>
 
+#include <boost/assign.hpp>
+
 #include "Fragmentation/Homology/HomologyContainer.hpp"
 #include "Fragmentation/Graph.hpp"
 
 #include "HomologyContainerUnitTest.hpp"
+
+#include <sstream>
+
+using namespace boost::assign;
 
 #ifdef HAVE_TESTRUNNER
@@ -60 +66 @@
 void HomologyContainerTest::setUp()
 {
-//  Keys = new HomologyContainer(keysets, values);
+  // add nodes
+  nodes +=
+      FragmentNode(1,1),
+      FragmentNode(1,4),
+      FragmentNode(2,2),
+      FragmentNode(2,4);
+  othernodes +=
+      FragmentNode(1,1),
+      FragmentNode(1,4);
+
+  // add edges
+  edges +=
+      FragmentEdge(1,1),
+      FragmentEdge(1,4),
+      FragmentEdge(2,2),
+      FragmentEdge(2,4);
+  otheredges +=
+      FragmentEdge(1,4),
+      FragmentEdge(2,2);
+
+  // construct graphs
+  HomologyGraph graph(nodes, edges);
+  HomologyGraph othergraph(othernodes, otheredges);
+
+  // place in container
+  Fragment::position_t pos(3, 0.);
+  Fragment::positions_t positions(1, pos);
+  Fragment::charges_t charges(1,1.);
+  Fragment dummy(positions, charges);
+  charges[0] = 6.;
+  positions[0][0] = 1.;
+  Fragment dummy1(positions, charges);
+  positions[0][0] = 2.;
+  Fragment dummy2(positions, charges);
+  container +=
+      std::make_pair( graph, std::make_pair(dummy1, 1.) ),
+      std::make_pair( graph, std::make_pair(dummy2, 1.5) ),
+      std::make_pair( othergraph, std::make_pair(dummy, 2.) );
+  // create HomologyContainer
+  Keys = new HomologyContainer(container);
 }
 
@@ -73 +118 @@
 void HomologyContainerTest::InsertionTest()
 {
+  // construct graphs
+  HomologyGraph graph(nodes, edges);
+
+  HomologyContainer::container_t newcontainer;
+  Fragment::position_t pos(3, 0.);
+  Fragment::positions_t positions(1, pos);
+  Fragment::charges_t charges(1,1.);
+  Fragment dummy(positions, charges);
+  newcontainer +=
+      std::make_pair( graph, std::make_pair(dummy, 1.) );
+
+  Keys->insert(newcontainer);
+
+  CPPUNIT_ASSERT_EQUAL( (size_t)4, Keys->container.size() );
 }
+
+/** UnitTest for operator==() works correctly.
+ */
+void HomologyContainerTest::EqualityTest()
+{
+  // compare same container
+  CPPUNIT_ASSERT( *Keys == *Keys );
+
+  // construct other container
+  HomologyGraph graph(nodes, edges);
+  HomologyContainer::container_t newcontainer;
+  Fragment::position_t pos(3, 0.);
+  Fragment::positions_t positions(1, pos);
+  Fragment::charges_t charges(1,1.);
+  Fragment dummy(positions, charges);
+  newcontainer +=
+      std::make_pair( graph, std::make_pair(dummy, 1.) );
+
+  HomologyContainer other(newcontainer);
+
+  CPPUNIT_ASSERT( *Keys != other );
+}
+
+/** UnitTest for serialization
+ */
+void HomologyContainerTest::serializeTest()
+{
+  // serialize
+  std::stringstream outputstream;
+  boost::archive::text_oarchive oa(outputstream);
+  oa << Keys;
+
+  // deserialize
+  HomologyContainer *samekeys = NULL;
+  std::stringstream returnstream(outputstream.str());
+  boost::archive::text_iarchive ia(returnstream);
+  ia >> samekeys;
+
+  CPPUNIT_ASSERT( samekeys != NULL );
+  //std::cout << *Keys << std::endl;
+  CPPUNIT_ASSERT_EQUAL( *Keys, *samekeys );
+
+  delete samekeys;
+}

src/Fragmentation/Homology/unittests/HomologyContainerUnitTest.hpp

@@ -25 +25 @@
     CPPUNIT_TEST_SUITE( HomologyContainerTest) ;
     CPPUNIT_TEST ( InsertionTest );
+    CPPUNIT_TEST ( EqualityTest );
+    CPPUNIT_TEST ( serializeTest );
     CPPUNIT_TEST_SUITE_END();
 
@@ -31 +33 @@
       void tearDown();
       void InsertionTest();
+      void EqualityTest();
+      void serializeTest();
 
 private:
       HomologyContainer *Keys;
+      HomologyGraph::nodes_t nodes;
+      HomologyGraph::nodes_t othernodes;
+      HomologyGraph::edges_t edges;
+      HomologyGraph::edges_t otheredges;
+      HomologyContainer::container_t container;
 };
 

src/Fragmentation/Homology/unittests/Makefile.am

@@ -47 +47 @@
         ../libMolecuilderUI.la \
         ${CodePatterns_LIBS} \
+  $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
         $(BOOST_LIB)