Changeset 55240c4 for src/unittests

Timestamp:

Jun 21, 2010, 7:56:00 AM (15 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:

2f40c0e

Parents:

1b2d30 (diff), da3024 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'stable' into PcpAndMpqcParser

Conflicts:

molecuilder/src/Makefile.am

• a single space after a "\"

Location:

src/unittests

Files:

• CacheableTest.cpp (modified) (2 diffs)
• LineUnittest.cpp (added)
• LineUnittest.hpp (added)
• Makefile.am (modified) (4 diffs)
• ObserverTest.cpp (modified) (8 diffs)
• PlaneUnittest.cpp (modified) (2 diffs)
• PlaneUnittest.hpp (modified) (2 diffs)
• listofbondsunittest.cpp (modified) (2 diffs)
• manipulateAtomsTest.cpp (modified) (1 diff)
• vectorunittest.cpp (modified) (1 diff)
• vectorunittest.hpp (modified) (1 diff)

src/unittests/CacheableTest.cpp

@@ -55 +55 @@
 
   threeNumbers(int _x,int _y, int _z) :
+    Observable("threeNumbers"),
     x(_x),y(_y),z(_z),
-    sum(this,boost::bind(&threeNumbers::calcSum,this)),
+    sum(this,boost::bind(&threeNumbers::calcSum,this),"sum"),
     hasRecalced(false)
   {}
@@ -81 +82 @@
   CPPUNIT_ASSERT_EQUAL( 9, *(numbers->sum));
   CPPUNIT_ASSERT_EQUAL( true, numbers->hasRecalced);
+  numbers->hasRecalced=false;
+  CPPUNIT_ASSERT_EQUAL( 9, *(numbers->sum));
+#ifndef NO_CACHING
+  CPPUNIT_ASSERT_EQUAL( false, numbers->hasRecalced);
+#else
+  CPPUNIT_ASSERT_EQUAL( true, numbers->hasRecalced);
+#endif
 }

src/unittests/Makefile.am

@@ -26 +26 @@
   InfoUnitTest \
   LinearSystemOfEquationsUnitTest \
+  LineUnittest \
   LinkedCellUnitTest \
   ListOfBondsUnitTest \
@@ -69 +70 @@
   infounittest.cpp \
   linearsystemofequationsunittest.cpp \
+  LineUnittest.cpp \
   LinkedCellUnitTest.cpp \
   listofbondsunittest.cpp \
@@ -104 +106 @@
   infounittest.hpp \
   linearsystemofequationsunittest.hpp \
+  LineUnittest.hpp \
   LinkedCellUnitTest.hpp \
   listofbondsunittest.hpp \
@@ -170 +173 @@
 LinearSystemOfEquationsUnitTest_LDADD = ${ALLLIBS}
 
+LineUnittest_SOURCES = UnitTestMain.cpp LineUnittest.cpp LineUnittest.hpp
+LineUnittest_LDADD = ${ALLLIBS}
+
 LinkedCellUnitTest_SOURCES = UnitTestMain.cpp LinkedCellUnitTest.cpp LinkedCellUnitTest.hpp 
 LinkedCellUnitTest_LDADD = ${ALLLIBS}

src/unittests/ObserverTest.cpp

@@ -33 +33 @@
 public:
   UpdateCountObserver() :
+    Observer("UpdateCountObserver"),
     updates(0)
   {};
@@ -45 +46 @@
 class SimpleObservable : public Observable {
 public:
+  SimpleObservable() :
+    Observable("SimpleObservable")
+  {}
+
   void changeMethod() {
     OBSERVE;
@@ -54 +59 @@
 class CallObservable : public Observable {
 public:
+  CallObservable() :
+    Observable("CallObservable")
+  {}
+
   void changeMethod1() {
     OBSERVE;
@@ -70 +79 @@
 class BlockObservable : public Observable {
 public:
+  BlockObservable() :
+    Observable("BlockObservable")
+  {}
+
   void changeMethod1(){
     OBSERVE;
@@ -104 +117 @@
 class SuperObservable : public Observable {
 public:
-  SuperObservable(){
+  SuperObservable():
+    Observable("SuperObservable")
+  {
     subObservable = new SimpleObservable();
     subObservable->signOn(this);
@@ -123 +138 @@
 public:
   NotificationObservable() :
-      notification1(new Notification(this)),
-      notification2(new Notification(this))
+    Observable("NotificationObservable"),
+    notification1(new Notification(this)),
+    notification2(new Notification(this))
   {}
 
@@ -149 +165 @@
 public:
   NotificationObserver(Notification_ptr notification) :
+    Observer("NotificationObserver"),
     requestedNotification(notification),
     wasNotified(false)
@@ -172 +189 @@
 
   ObservableCollection(int _num) :
-  num(_num)
+    Observable("ObservableCollection"),
+    num(_num)
   {
     for(int i=0; i<num; ++i){

src/unittests/PlaneUnittest.cpp

@@ -17 +17 @@
 
 #include "vector.hpp"
+#include "Line.hpp"
 
 CPPUNIT_TEST_SUITE_REGISTRATION( PlaneUnittest );
@@ -153 +154 @@
   CPPUNIT_ASSERT(fabs(p4->distance(e1)-1) < MYEPSILON);
   CPPUNIT_ASSERT_EQUAL(zeroVec,p4->getClosestPoint(e1));
-
-
-}
+}
+
+void PlaneUnittest::mirrorTest(){
+  Vector fixture;
+
+  // some Vectors that lie on the planes
+  fixture = p1->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = p1->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = p1->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  fixture = p2->mirrorVector(zeroVec);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = p2->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = p2->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+
+  fixture = p3->mirrorVector(zeroVec);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = p3->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = p3->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  fixture = p4->mirrorVector(zeroVec);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = p4->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = p4->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  // some Vectors outside of the planes
+  {
+    Vector t = (2./3.)*(e1+e2+e3);
+    fixture = p1->mirrorVector(zeroVec);
+    CPPUNIT_ASSERT_EQUAL(fixture,t);
+  }
+
+  fixture = p2->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e3);
+  fixture = p3->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e2);
+  fixture = p4->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e1);
+}
+
+void PlaneUnittest::LineIntersectionTest(){
+  Vector fixture;
+  // plane at (0,0,0) normal to (1,0,0) cuts line from (0,0,0) to (2,1,0) at ???
+  Line l1 = makeLineThrough(zeroVec,Vector(2,1,0));
+  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(e1, zeroVec).GetIntersection(l1) );
+  CPPUNIT_ASSERT_EQUAL( zeroVec, fixture );
+
+  // plane at (2,1,0) normal to (0,1,0) cuts line from (1,0,0) to (0,1,1) at ???
+  Line l2 = makeLineThrough(e1,Vector(0,1,1));
+  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(e2, Vector(2,1,0)).GetIntersection(l2) );
+  CPPUNIT_ASSERT_EQUAL( Vector(0., 1., 1.), fixture );
+}

src/unittests/PlaneUnittest.hpp

@@ -20 +20 @@
   CPPUNIT_TEST ( pointsTest );
   CPPUNIT_TEST ( operationsTest );
+  CPPUNIT_TEST ( mirrorTest );
+  CPPUNIT_TEST ( LineIntersectionTest );
   CPPUNIT_TEST_SUITE_END();
 
@@ -30 +32 @@
   void pointsTest();
   void operationsTest();
+  void mirrorTest();
+  void LineIntersectionTest();
 
 private:

src/unittests/listofbondsunittest.cpp

@@ -249 +249 @@
 void ListOfBondsTest::DeleteAtomTest()
 {
-  bond *Binder = NULL;
-  molecule::iterator iter = TestMolecule->begin();
-  atom *atom1 = *iter;
-  iter++;
-  atom *atom2 = *iter;
-  CPPUNIT_ASSERT( atom1 != NULL );
-  CPPUNIT_ASSERT( atom2 != NULL );
-
-  // add bond
-  Binder = TestMolecule->AddBond(atom1, atom2, 1);
-  CPPUNIT_ASSERT( Binder != NULL );
+  atom *atom1 = NULL;
+  atom *atom2 = NULL;
+  bond *Binder = NULL;
+  {
+    molecule::iterator iter = TestMolecule->begin();
+    atom1 = *iter;
+    iter++;
+    atom2 = *iter;
+  }
+  CPPUNIT_ASSERT( atom1 != NULL );
+  CPPUNIT_ASSERT( atom2 != NULL );
+
+  // add bond
+  Binder = TestMolecule->AddBond(atom1, atom2, 1);
+  CPPUNIT_ASSERT( Binder != NULL );
+
+  CPPUNIT_ASSERT_EQUAL( (size_t) 1, atom1->ListOfBonds.size() );
+  CPPUNIT_ASSERT_EQUAL( (size_t) 1, atom2->ListOfBonds.size() );
+
+  CPPUNIT_ASSERT_EQUAL( true, TestMolecule->hasBondStructure() );
 
   // remove atom2
@@ -268 +277 @@
 
   // check if removed from molecule
-  CPPUNIT_ASSERT_EQUAL( true, TestMolecule->hasBondStructure() );
-};
+  CPPUNIT_ASSERT_EQUAL( false, TestMolecule->hasBondStructure() );
+};

src/unittests/manipulateAtomsTest.cpp

@@ -55 +55 @@
 public:
   countObserver() :
+    Observer("countObserver"),
     count(0)
     {}

src/unittests/vectorunittest.cpp

@@ -215 +215 @@
 }
 
-/** UnitTest for line intersections.
- */
-void VectorTest::LineIntersectionTest()
-{
-  // plane at (0,0,0) normal to (1,0,0) cuts line from (0,0,0) to (2,1,0) at ???
-  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(unit, zero).GetIntersection(zero, two) );
-  CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  // plane at (2,1,0) normal to (0,1,0) cuts line from (1,0,0) to (0,1,1) at ???
-  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(otherunit, two).GetIntersection( unit, notunit) );
-  CPPUNIT_ASSERT_EQUAL( Vector(0., 1., 1.), fixture );
-
-  // four vectors equal to zero
-  CPPUNIT_ASSERT_THROW(fixture = GetIntersectionOfTwoLinesOnPlane(zero, zero, zero, zero), LinearDependenceException);
-  //CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  // four vectors equal to unit
-  CPPUNIT_ASSERT_THROW(fixture = GetIntersectionOfTwoLinesOnPlane(unit, unit, unit, unit), LinearDependenceException);
-  //CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  // two equal lines
-  CPPUNIT_ASSERT_NO_THROW(fixture = GetIntersectionOfTwoLinesOnPlane(unit, two, unit, two));
-  CPPUNIT_ASSERT_EQUAL( unit, fixture );
-
-  // line from (1,0,0) to (2,1,0) cuts line from (1,0,0) to (0,1,0) at ???
-  CPPUNIT_ASSERT_NO_THROW( fixture = GetIntersectionOfTwoLinesOnPlane(unit, two, unit, otherunit) );
-  CPPUNIT_ASSERT_EQUAL( unit, fixture );
-
-  // line from (1,0,0) to (0,0,0) cuts line from (0,0,0) to (2,1,0) at ???
-  CPPUNIT_ASSERT_NO_THROW( fixture = GetIntersectionOfTwoLinesOnPlane(unit, zero, zero, two) );
-  CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  // line from (1,0,0) to (2,1,0) cuts line from (0,0,0) to (0,1,0) at ???
-  CPPUNIT_ASSERT_NO_THROW(fixture = GetIntersectionOfTwoLinesOnPlane(unit, two, zero, otherunit) );
-  CPPUNIT_ASSERT_EQUAL( Vector(0., -1., 0.), fixture );
-};
-
-/** UnitTest for vector rotations.
- */
-void VectorTest::VectorRotationTest()
-{
-  fixture = Vector(-1.,0.,0.);
-
-  // zero vector does not change
-  fixture = RotateVector(zero,unit, 1.);
-  CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  fixture = RotateVector(zero, two, 1.);
-  CPPUNIT_ASSERT_EQUAL( zero,  fixture);
-
-  // vector on axis does not change
-  fixture = RotateVector(unit,unit, 1.);
-  CPPUNIT_ASSERT_EQUAL( unit, fixture );
-
-  // rotations
-  fixture = RotateVector(otherunit, unit, M_PI);
-  CPPUNIT_ASSERT_EQUAL( Vector(0.,-1.,0.), fixture );
-
-  fixture = RotateVector(otherunit, unit, 2. * M_PI);
-  CPPUNIT_ASSERT_EQUAL( otherunit, fixture );
-
-  fixture = RotateVector(otherunit,unit, 0);
-  CPPUNIT_ASSERT_EQUAL( otherunit, fixture );
-
-  fixture = RotateVector(Vector(0.,0.,1.), notunit, M_PI);
-  CPPUNIT_ASSERT_EQUAL( otherunit, fixture );
-}
 
 /**

src/unittests/vectorunittest.hpp

@@ -27 +27 @@
     CPPUNIT_TEST ( ProjectionTest );
     CPPUNIT_TEST ( NormalsTest );
-    CPPUNIT_TEST ( LineIntersectionTest );
-    CPPUNIT_TEST ( VectorRotationTest );
     CPPUNIT_TEST ( IsInParallelepipedTest );
     CPPUNIT_TEST_SUITE_END();