Changeset 456e78 for src

Timestamp:

Dec 16, 2010, 11:45:30 PM (14 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:

d766b5

Parents:

f7c0c4

git-author:

Frederik Heber <heber@…> (12/15/10 18:32:19)

git-committer:

Frederik Heber <heber@…> (12/16/10 23:45:30)

Message:

Removed ActOnAllUnitTest.

• Till had replaced all ActOnAll by for_each() with boost::bind. Hence, ActOnAll is not used anymore.

Location:

src

Files:

• molecule_dynamics.cpp (modified) (2 diffs)
• test/ActOnAlltest.hpp (deleted)
• unittests/ActOnAllUnitTest.cpp (deleted)
• unittests/ActOnAllUnitTest.hpp (deleted)
• unittests/Makefile.am (modified) (4 diffs)

src/molecule_dynamics.cpp

@@ -484 +484 @@
            atoms.end(),
            boost::bind(&atom::EvaluateConstrainedForce,_1,startstep,endstep,PermutationMap,Force));
-  //ActOnAllAtoms( &atom::EvaluateConstrainedForce, startstep, endstep, PermutationMap, Force );
   DoLog(1) && (Log() << Verbose(1) << "done." << endl);
 };
@@ -617 +616 @@
     // and perform Verlet integration for each atom with position, velocity and force vector
     // check size of vectors
-    //ActOnAllAtoms( &atom::ResizeTrajectory, MDSteps+10 );
     for_each(atoms.begin(),
              atoms.end(),

src/unittests/Makefile.am

@@ -13 +13 @@
 
 TESTS = \
-  ActOnAllUnitTest \
   AnalysisBondsUnitTests \
   AnalysisCorrelationToPointUnitTest \
@@ -73 +72 @@
 TESTSOURCES = \
   ../Actions/unittests/ActionRegistryUnitTest.cpp \
-  ActOnAllUnitTest.cpp \
   ../Actions/unittests/ActionSequenceUnitTest.cpp \
   analysisbondsunittest.cpp \
@@ -114 +112 @@
 TESTHEADERS = \
   ../Actions/unittests/ActionRegistryUnitTest.hpp \
-  ActOnAllUnitTest.hpp \
   ../Actions/unittests/ActionSequenceUnitTest.hpp \
   analysisbondsunittest.hpp \
@@ -155 +152 @@
   
 
-ActOnAllUnitTest_SOURCES = UnitTestMain.cpp ../test/ActOnAllTest.hpp ActOnAllUnitTest.cpp ActOnAllUnitTest.hpp
-ActOnAllUnitTest_LDADD = ${ALLLIBS}
-
 AnalysisBondsUnitTests_SOURCES = UnitTestMain.cpp analysisbondsunittest.cpp analysisbondsunittest.hpp
 AnalysisBondsUnitTests_LDADD = ${ALLLIBS}