Changeset d6e719

Timestamp:

Jul 27, 2010, 9:51:40 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:

b2d8d0

Parents:

0430e3

Message:

BUGFIX: some Molecule...Descriptors::find() function copied the MoleculeSet from getMolecules() instead of using it as reference.

• Strangely though, this caused problems only when checking with test_all.sh and not with normal build (error was undefined ref to ObservedContainer::ObservedContainer(...))

Location:

src

Files:

• Descriptors/MoleculeNameDescriptor.cpp (modified) (1 diff)
• Descriptors/MoleculePtrDescriptor.cpp (modified) (1 diff)
• Patterns/ObservedContainer_impl.hpp (modified) (2 diffs)

src/Descriptors/MoleculeNameDescriptor.cpp

@@ -30 +30 @@
 
 molecule *MoleculeNameDescriptor_impl::find(){
-  World::MoleculeSet molecules = getMolecules();
+  World::MoleculeSet &molecules = getMolecules();
   World::MoleculeSet::iterator res = molecules.begin();
   for (; res != molecules.end(); res++)

src/Descriptors/MoleculePtrDescriptor.cpp

@@ -32 +32 @@
 
 molecule *MoleculePtrDescriptor_impl::find(){
-  World::MoleculeSet molecules = getMolecules();
+  World::MoleculeSet &molecules = getMolecules();
   World::MoleculeSet::iterator res = molecules.find(ptr->getId());
   return (res!=molecules.end())?((*res).second):0;

src/Patterns/ObservedContainer_impl.hpp

@@ -17 +17 @@
 
 template <class Container>
-inline ObservedContainer<Container>::ObservedContainer(const ObservedContainer &src) :
+inline ObservedContainer<Container>::ObservedContainer(const ObservedContainer<Container> &src) :
   content(src.content),
   obs(src.obs)
@@ -29 +29 @@
 inline
 ObservedContainer<Container>&
-ObservedContainer<Container>::operator=(const ObservedContainer &rhs){
+ObservedContainer<Container>::operator=(const ObservedContainer<Container> &rhs){
   content=rhs.content;
   return *this;