Changeset 229e3c for src

Timestamp:

Mar 18, 2010, 2:48:20 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

5be0eb

Parents:

6e97e5

Message:

Added custom Assert makro that allows ignoring asserts

Location:

src

Files:

• Helpers/Assert.cpp (added)
• Helpers/Assert.hpp (added)
• Makefile.am (modified) (2 diffs)
• builder.cpp (modified) (1 diff)
• unittests/AtomDescriptorTest.cpp (modified) (4 diffs)
• unittests/atomsCalculationTest.cpp (modified) (2 diffs)
• unittests/manipulateAtomsTest.cpp (modified) (2 diffs)

src/Makefile.am

@@ -32 +32 @@
 
 DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
+                                   Descriptors/AtomIdDescriptor.cpp \
+                                   Descriptors/AtomTypeDescriptor.cpp \
                                    Descriptors/MoleculeDescriptor.cpp \
-                                   Descriptors/MoleculeIdDescriptor.cpp
+                                   Descriptors/MoleculeIdDescriptor.cpp 
                                    
-#                                  Descriptors/AtomIdDescriptor.cpp 
-#                                  Descriptors/AtomTypeDescriptor.cpp 
                                    
 DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
+                                   Descriptors/AtomIdDescriptor.hpp \
+                                   Descriptors/AtomTypeDescriptor.hpp \
                                    Descriptors/MoleculeDescriptor.hpp \
                                    Descriptors/MoleculeIdDescriptor.hpp
                                    
-#                                  Descriptors/AtomIdDescriptor.hpp 
-#                                  Descriptors/AtomTypeDescriptor.hpp
+
 
 SOURCE = ${ANALYSISSOURCE} \
@@ -60 +61 @@
                  graph.cpp \
                  helpers.cpp \
+                 Helpers/Assert.cpp \
                  info.cpp \
                  leastsquaremin.cpp \

src/builder.cpp

@@ -2190 +2190 @@
     char *ConfigFileName = NULL;
     int j;
+
     setVerbosity(0);
     /* structure of ParseCommandLineOptions will be refactored later */

src/unittests/AtomDescriptorTest.cpp

@@ -81 +81 @@
 }
 void AtomDescriptorTest::AtomIdTest(){
-#if 0
   // test Atoms from boundaries and middle of the set
   atom* testAtom;
@@ -106 +105 @@
   testAtom = World::getInstance().getAtom(AtomById(outsideId));
   CPPUNIT_ASSERT(!testAtom);
-#endif
 }
 void AtomDescriptorTest::AtomCalcTest(){
@@ -142 +140 @@
     CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateAtoms(testAtoms));
   }
-#if 0
   // exclude and include some atoms
   {
@@ -158 +155 @@
     CPPUNIT_ASSERT_EQUAL( atomIds[ATOM_COUNT/2], testAtoms[0]->getId());
   }
-#endif
 }

src/unittests/atomsCalculationTest.cpp

@@ -83 +83 @@
 
 void atomsCalculationTest::testCalculateExcluded(){
-#if 0
   atomId_t excluded = atomIds[ATOM_COUNT/2];
   AtomsCalculation<atomId_t> *calc = World::getInstance().calcOnAtoms<atomId_t>(boost::bind(&atom::getId,_1),"FOO",AllAtoms() && !AtomById(excluded));
@@ -92 +91 @@
   CPPUNIT_ASSERT(hasNoDuplicates(allIds));
   CPPUNIT_ASSERT_EQUAL((size_t)(ATOM_COUNT-1),allIds.size());
-#endif
 }

src/unittests/manipulateAtomsTest.cpp

@@ -102 +102 @@
 
 void manipulateAtomsTest::testManipulateExcluded(){
-#if 0
+
   ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms() && !AtomById(ATOM_COUNT/2));
   proc->call();
@@ -116 +116 @@
       CPPUNIT_ASSERT(!atom->manipulated);
   }
-#endif
 }