Changeset 84721b

Timestamp:

Mar 28, 2012, 3:17:38 PM (13 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:

6acc2f3

Parents:

571d04

git-author:

Frederik Heber <heber@…> (01/18/12 20:47:29)

git-committer:

Frederik Heber <heber@…> (03/28/12 15:17:38)

Message:

Added new unit test ShapeOpsUnitTest, testing all ShapeOps.

• BUGFIX: Stretch_impl() cstor had 1/... not 1./... for reciFactors.

Location:

src/Shapes

Files:

• ShapeOps.cpp (modified) (1 diff)
• unittests/Makefile.am (modified) (2 diffs)
• unittests/ShapeOpsUnitTest.cpp (added)
• unittests/ShapeOpsUnitTest.hpp (added)

src/Shapes/ShapeOps.cpp

@@ -177 +177 @@
   ShapeOpsBase_impl(_arg),factors(_factors)
 {
-  ASSERT(factors[0]>0,"cannot stretch a shape by a negative amount");
-  ASSERT(factors[1]>0,"cannot stretch a shape by a negative amount");
-  ASSERT(factors[2]>0,"cannot stretch a shape by a negative amount");
   for(int i = NDIM;i--;){
-    reciFactors[i] = 1/factors[i];
+    ASSERT(factors[i]>0.,"cannot stretch a shape by a negative amount");
+    reciFactors[i] = 1./factors[i];
   }
 }

src/Shapes/unittests/Makefile.am

@@ -4 +4 @@
 
 SHAPETESTSSOURCES = \
-        ../Shapes/unittests/BaseShapesUnitTest.cpp
+        ../Shapes/unittests/BaseShapesUnitTest.cpp \
+        ../Shapes/unittests/ShapeOpsUnitTest.cpp
 
 SHAPETESTSHEADERS= \
-        ../Shapes/unittests/BaseShapesUnitTest.hpp
+        ../Shapes/unittests/BaseShapesUnitTest.hpp \
+        ../Shapes/unittests/ShapeOpsUnitTest.hpp
 
 SHAPETESTS = \
-  BaseShapesUnitTest
+  BaseShapesUnitTest \
+  ShapeOpsUnitTest
   
 TESTS += $(SHAPETESTS)
@@ -30 +33 @@
 BaseShapesUnitTest_LDADD = $(SHAPELIBS)
 
+ShapeOpsUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
+        ../Shapes/unittests/ShapeOpsUnitTest.cpp \
+        ../Shapes/unittests/ShapeOpsUnitTest.hpp
+nodist_ShapeOpsUnitTest_SOURCES = \
+        ../Helpers/defs.hpp \
+        ../Helpers/defs.cpp
+ShapeOpsUnitTest_LDADD = $(SHAPELIBS)
+
 
 #AUTOMAKE_OPTIONS = parallel-tests