Changeset 484e2a for src/Potentials/Specifics/unittests

Timestamp:

Aug 9, 2013, 2:20:37 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:

e2037e

Parents:

1413f4

git-author:

Frederik Heber <heber@…> (07/08/13 07:20:55)

git-committer:

Frederik Heber <heber@…> (08/09/13 14:20:37)

Message:

Renamed PairPotential_Angle -> ThreeBodyPotential_Angle and also UnitTest.

Location:

src/Potentials/Specifics/unittests

Files:

• Makefile.am (modified) (3 diffs)
• ThreeBodyPotential_AngleUnitTest.cpp (moved) (moved from src/Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp ) (8 diffs)
• ThreeBodyPotential_AngleUnitTest.hpp (moved) (moved from src/Potentials/Specifics/unittests/PairPotential_AngleUnitTest.hpp ) (4 diffs)

src/Potentials/Specifics/unittests/Makefile.am

@@ -5 +5 @@
         ../Potentials/Specifics/unittests/ConstantPotentialUnitTest.cpp \
         ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp \
-        ../Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp \
         ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp \
         ../Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.cpp \
-        ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp
+        ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp \
+        ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.cpp
 
 POTENTIALSSPECIFICSTESTSHEADERS = \
         ../Potentials/Specifics/unittests/ConstantPotentialUnitTest.hpp \
         ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.hpp \
-        ../Potentials/Specifics/unittests/PairPotential_AngleUnitTest.hpp \
         ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.hpp \
         ../Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.hpp \
-        ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.hpp
+        ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.hpp \
+        ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.hpp
 
 POTENTIALSSPECIFICSTESTS = \
         ConstantPotentialUnitTest \
         ManyBodyPotential_TersoffUnitTest \
-        PairPotential_AngleUnitTest \
         PairPotential_HarmonicUnitTest \
         PairPotential_LennardJonesUnitTest \
-        PairPotential_MorseUnitTest
+        PairPotential_MorseUnitTest \
+        ThreeBodyPotential_AngleUnitTest
 
 TESTS += $(POTENTIALSSPECIFICSTESTS)
@@ -50 +50 @@
 ManyBodyPotential_TersoffUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
 
-PairPotential_AngleUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
-        ../Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp \
-        ../Potentials/Specifics/unittests/PairPotential_AngleUnitTest.hpp
-PairPotential_AngleUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
-
 PairPotential_HarmonicUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
         ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp \
@@ -70 +65 @@
 PairPotential_MorseUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
 
+ThreeBodyPotential_AngleUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
+        ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.cpp \
+        ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.hpp
+ThreeBodyPotential_AngleUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
+
 
 #AUTOMAKE_OPTIONS = parallel-tests

src/Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.cpp

@@ -23 +23 @@
 
 /*
- * PairPotential_AngleUnitTest.cpp
+ * ThreeBodyPotential_AngleUnitTest.cpp
  *
  *  Created on: Oct 16, 2012
@@ -40 +40 @@
 #include <cppunit/ui/text/TestRunner.h>
 
-#include "PairPotential_AngleUnitTest.hpp"
+#include "ThreeBodyPotential_AngleUnitTest.hpp"
 
 #include <boost/assign.hpp>
@@ -47 +47 @@
 
 #include "FunctionApproximation/FunctionArgument.hpp"
-#include "Potentials/Specifics/PairPotential_Angle.hpp"
+#include "Potentials/Specifics/ThreeBodyPotential_Angle.hpp"
 #include "Potentials/helpers.hpp"
 
@@ -59 +59 @@
 
 // Registers the fixture into the 'registry'
-CPPUNIT_TEST_SUITE_REGISTRATION( PairPotential_AngleTest );
+CPPUNIT_TEST_SUITE_REGISTRATION( ThreeBodyPotential_AngleTest );
 
 const double spring_constant = .5;
 
-void PairPotential_AngleTest::setUp()
+void ThreeBodyPotential_AngleTest::setUp()
 {
   // failing asserts should be thrown
@@ -97 +97 @@
 
 
-void PairPotential_AngleTest::tearDown()
+void ThreeBodyPotential_AngleTest::tearDown()
 {
 }
@@ -103 +103 @@
 /** UnitTest for operator()
  */
-void PairPotential_AngleTest::operatorTest()
+void ThreeBodyPotential_AngleTest::operatorTest()
 {
-  PairPotential_Angle::ParticleTypes_t types =
-      boost::assign::list_of<PairPotential_Angle::ParticleType_t>
+  ThreeBodyPotential_Angle::ParticleTypes_t types =
+      boost::assign::list_of<ThreeBodyPotential_Angle::ParticleType_t>
         (0)(1)(1)
       ;
-  PairPotential_Angle angle(types, spring_constant,0.);
+  ThreeBodyPotential_Angle angle(types, spring_constant,0.);
   for (size_t index = 0; index < input.size(); ++index) {
-    const PairPotential_Angle::results_t result =
+    const ThreeBodyPotential_Angle::results_t result =
         angle( input[index] );
     CPPUNIT_ASSERT(
@@ -124 +124 @@
 /** UnitTest for derivative()
  */
-void PairPotential_AngleTest::derivativeTest()
+void ThreeBodyPotential_AngleTest::derivativeTest()
 {
-  PairPotential_Angle::ParticleTypes_t types =
-      boost::assign::list_of<PairPotential_Angle::ParticleType_t>
+  ThreeBodyPotential_Angle::ParticleTypes_t types =
+      boost::assign::list_of<ThreeBodyPotential_Angle::ParticleType_t>
         (0)(1)(1)
       ;
-  PairPotential_Angle angle(types, spring_constant,0.);
+  ThreeBodyPotential_Angle angle(types, spring_constant,0.);
   CPPUNIT_ASSERT(
       Helpers::isEqual(
@@ -145 +145 @@
 /** UnitTest for parameter_derivative()
  */
-void PairPotential_AngleTest::parameter_derivativeTest()
+void ThreeBodyPotential_AngleTest::parameter_derivativeTest()
 {
-  PairPotential_Angle::ParticleTypes_t types =
-      boost::assign::list_of<PairPotential_Angle::ParticleType_t>
+  ThreeBodyPotential_Angle::ParticleTypes_t types =
+      boost::assign::list_of<ThreeBodyPotential_Angle::ParticleType_t>
         (0)(1)(1)
       ;
-  PairPotential_Angle angle(types, spring_constant,0.);
+  ThreeBodyPotential_Angle angle(types, spring_constant,0.);
   CPPUNIT_ASSERT(
       Helpers::isEqual(

src/Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.hpp

@@ -1 +1 @@
 /*
- * PairPotential_AngleUnitTest.hpp
+ * ThreeBodyPotential_AngleUnitTest.hpp
  *
  *  Created on: Oct 16, 2012
@@ -6 +6 @@
  */
 
-#ifndef PAIRPOTENTIAL_ANGLEUNITTEST_HPP_
-#define PAIRPOTENTIAL_ANGLEUNITTEST_HPP_
+#ifndef THREEBODYPOTENTIAL_ANGLEUNITTEST_HPP_
+#define THREEBODYPOTENTIAL_ANGLEUNITTEST_HPP_
 
 // include config.h
@@ -19 +19 @@
 #include "FunctionApproximation/FunctionModel.hpp"
 
-class PairPotential_Angle;
+class ThreeBodyPotential_Angle;
 
 /********************************************** Test classes **************************************/
 
-class PairPotential_AngleTest : public CppUnit::TestFixture
+class ThreeBodyPotential_AngleTest : public CppUnit::TestFixture
 {
-    CPPUNIT_TEST_SUITE( PairPotential_AngleTest) ;
+    CPPUNIT_TEST_SUITE( ThreeBodyPotential_AngleTest) ;
     CPPUNIT_TEST ( operatorTest );
     CPPUNIT_TEST ( derivativeTest );
@@ -44 +44 @@
 };
 
-#endif /* PAIRPOTENTIAL_ANGLEUNITTEST_HPP_ */
+#endif /* THREEBODYPOTENTIAL_ANGLEUNITTEST_HPP_ */