Changeset d557374

Timestamp:

Feb 24, 2011, 7:09:31 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:

073a9e4

Parents:

93c6e9

git-author:

Frederik Heber <heber@…> (02/24/11 14:56:28)

git-committer:

Frederik Heber <heber@…> (02/24/11 19:09:31)

Message:

Cosmetic changes to class bond::~bond and BondedParticle::UnregisterBond.

Location:

src

Files:

• atom_bondedparticle.cpp (modified) (3 diffs)
• bond.cpp (modified) (1 diff)

src/atom_bondedparticle.cpp

@@ -23 +23 @@
 #include "atom_bondedparticle.hpp"
 #include "bond.hpp"
+#include "CodePatterns/Assert.hpp"
+#include "CodePatterns/Log.hpp"
+#include "CodePatterns/Verbose.hpp"
 #include "element.hpp"
 #include "lists.hpp"
-#include "CodePatterns/Log.hpp"
-#include "CodePatterns/Verbose.hpp"
-#include "WorldTime.hpp"
 
 /** Constructor of class BondedParticle.
@@ -123 +123 @@
   if (Binder != NULL) {
     if (Binder->Contains(this)) {
+      //LOG(3,"INFO: Registering bond "<< *Binder << " with atom " << *this << " at step " << _step);
       BondList& ListOfBonds = getListOfBonds();
       ListOfBonds.push_back(Binder);
@@ -142 +143 @@
 {
   bool status = false;
-  if (Binder != NULL) {
-    if (Binder->Contains(this)) {
-      const int step = ContainsBondAtStep(Binder);
-      if (step != -1) {
-          ListOfBonds[step].remove(Binder);
-      }
-      status = true;
-    } else {
-      DoeLog(1) && (eLog()<< Verbose(1) << *Binder << " does not contain " << *this << "." << endl);
-    }
+  ASSERT(Binder != NULL, "BondedParticle::UnregisterBond() - Binder is NULL.");
+  const int step = ContainsBondAtStep(Binder);
+  if (step != -1) {
+    //LOG(3,"INFO: Unregistering bond "<< *Binder << " from list " << &ListOfBonds << " of atom " << *this << " at step " << step);
+    ListOfBonds[step].remove(Binder);
+    status = true;
   } else {
-    DoeLog(1) && (eLog()<< Verbose(1) << "Binder is " << Binder << "." << endl);
+    DoeLog(1) && (eLog()<< Verbose(1) << *Binder << " does not contain " << *this << "." << endl);
   }
   return status;

src/bond.cpp

@@ -78 +78 @@
     leftatom->UnregisterBond(this);
   if (rightatom != NULL)
-  rightatom->UnregisterBond(this);
+    rightatom->UnregisterBond(this);
   unlink(this);
 };