Changeset fb0b62

Timestamp:

Feb 24, 2011, 6:31:34 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:

e2373df

Parents:

443547

git-author:

Frederik Heber <heber@…> (02/24/11 14:49:35)

git-committer:

Frederik Heber <heber@…> (02/24/11 18:31:34)

Message:

AtomInfo: Commented-out operator* and *= with double.

• this is preparatory for virtual AtomInfo::UpdateSteps().

Location:

src

Files:

• atom_atominfo.cpp (modified) (1 diff)
• atom_atominfo.hpp (modified) (1 diff)

src/atom_atominfo.cpp

@@ -517 +517 @@
 };
 
-const AtomInfo& operator*=(AtomInfo& a, const double m)
-{
-  a.Scale(m);
-  return a;
-}
-
-AtomInfo const operator*(const AtomInfo& a, const double m)
-{
-  AtomInfo copy(a);
-  copy *= m;
-  return copy;
-}
-
-AtomInfo const operator*(const double m, const AtomInfo& a)
-{
-  AtomInfo copy(a);
-  copy *= m;
-  return copy;
-}
+//const AtomInfo& operator*=(AtomInfo& a, const double m)
+//{
+//  a.Scale(m);
+//  return a;
+//}
+//
+//AtomInfo const operator*(const AtomInfo& a, const double m)
+//{
+//  AtomInfo copy(a);
+//  copy *= m;
+//  return copy;
+//}
+//
+//AtomInfo const operator*(const double m, const AtomInfo& a)
+//{
+//  AtomInfo copy(a);
+//  copy *= m;
+//  return copy;
+//}
 
 std::ostream & AtomInfo::operator << (std::ostream &ost) const

src/atom_atominfo.hpp

@@ -255 +255 @@
 std::ostream & operator << (std::ostream &ost, const AtomInfo &a);
 
-const AtomInfo& operator*=(AtomInfo& a, const double m);
-AtomInfo const operator*(const AtomInfo& a, const double m);
-AtomInfo const operator*(const double m, const AtomInfo& a);
+//const AtomInfo& operator*=(AtomInfo& a, const double m);
+//AtomInfo const operator*(const AtomInfo& a, const double m);
+//AtomInfo const operator*(const double m, const AtomInfo& a);
 
 #endif /* ATOM_ATOMINFO_HPP_ */