Changeset d00370 for src

Timestamp:

Apr 6, 2012, 11:46:16 AM (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:

c0ed1e

Parents:

760c4c

git-author:

Frederik Heber <heber@…> (04/06/12 11:03:57)

git-committer:

Frederik Heber <heber@…> (04/06/12 11:46:16)

Message:

FIX: Box does not notify (though update) when set conditions or matrix is the same.

• TESTFIX: BoxUnitTest adapted accordingly and added checks for no notify on these cases.

Location:

src

Files:

• Box.cpp (modified) (3 diffs)
• unittests/BoxUnitTest.cpp (modified) (2 diffs)

src/Box.cpp

@@ -119 +119 @@
   ASSERT(_M.determinant()!=0,"Matrix in Box construction was not invertible");
   OBSERVE;
-  NOTIFY(MatrixChanged);
+  if (_M != *M)
+    NOTIFY(MatrixChanged);
   *M    =_M;
   *Minv = M->invert();
@@ -343 +344 @@
 {
   OBSERVE;
-  NOTIFY(BoundaryConditionsChanged);
+  if (conditions.get(i) != _condition)
+    NOTIFY(BoundaryConditionsChanged);
   conditions.set(i, _condition);
 }
@@ -350 +352 @@
 {
   OBSERVE;
+  if (conditions.get() != _conditions)
   NOTIFY(BoundaryConditionsChanged);
   conditions.set(_conditions);

src/unittests/BoxUnitTest.cpp

@@ -1629 +1629 @@
   UpdateCountObserver *observer_general = new UpdateCountObserver();
   NotificationObserver *observer_matrix = new NotificationObserver(
-      unitBox->getChannel(Box::MatrixChanged));
+      stretchedBox1->getChannel(Box::MatrixChanged));
   NotificationObserver *observer_bc = new NotificationObserver(
-      unitBox->getChannel(Box::BoundaryConditionsChanged));
+      stretchedBox1->getChannel(Box::BoundaryConditionsChanged));
   CPPUNIT_ASSERT_EQUAL((int)0, observer_general->updates);
   CPPUNIT_ASSERT_EQUAL(false, observer_matrix->wasNotified);
   CPPUNIT_ASSERT_EQUAL(false, observer_bc->wasNotified);
-  unitBox->signOn(observer_general);
-  unitBox->signOn(observer_matrix, Box::MatrixChanged);
-  unitBox->signOn(observer_bc, Box::BoundaryConditionsChanged);
+  stretchedBox1->signOn(observer_general);
+  stretchedBox1->signOn(observer_matrix, Box::MatrixChanged);
+  stretchedBox1->signOn(observer_bc, Box::BoundaryConditionsChanged);
 
   // create update MatrixChanged
-  unitBox->setM(*unit);
+  stretchedBox1->setM(*unit);
   CPPUNIT_ASSERT_EQUAL((int)1, observer_general->updates);
   CPPUNIT_ASSERT_EQUAL(true, observer_matrix->wasNotified);
@@ -1646 +1646 @@
   observer_matrix->wasNotified = false;
 
-  // create update BoundaryConditionsChanged
-  unitBox->setCondition(0, BoundaryConditions::Wrap);
+  // same matrix does not notify but update
+  stretchedBox1->setM(*unit);
   CPPUNIT_ASSERT_EQUAL((int)2, observer_general->updates);
   CPPUNIT_ASSERT_EQUAL(false, observer_matrix->wasNotified);
+  CPPUNIT_ASSERT_EQUAL(false, observer_bc->wasNotified);
+
+  // create update BoundaryConditionsChanged
+  stretchedBox1->setCondition(0, BoundaryConditions::Bounce);
+  CPPUNIT_ASSERT_EQUAL((int)3, observer_general->updates);
+  CPPUNIT_ASSERT_EQUAL(false, observer_matrix->wasNotified);
   CPPUNIT_ASSERT_EQUAL(true, observer_bc->wasNotified);
+  observer_bc->wasNotified = false;
+
+  // set same conditions does not notify but update
+  stretchedBox1->setCondition(0, BoundaryConditions::Bounce);
+  CPPUNIT_ASSERT_EQUAL((int)4, observer_general->updates);
+  CPPUNIT_ASSERT_EQUAL(false, observer_matrix->wasNotified);
+  CPPUNIT_ASSERT_EQUAL(false, observer_bc->wasNotified);
 
   // remove observers again
-  unitBox->signOff(observer_general);
-  unitBox->signOff(observer_matrix, Box::MatrixChanged);
-  unitBox->signOff(observer_bc, Box::BoundaryConditionsChanged);
+  stretchedBox1->signOff(observer_general);
+  stretchedBox1->signOff(observer_matrix, Box::MatrixChanged);
+  stretchedBox1->signOff(observer_bc, Box::BoundaryConditionsChanged);
   delete observer_general;
   delete observer_matrix;