Changeset f9183b

Timestamp:

Aug 28, 2010, 12:57:56 AM (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:

e8926e

Parents:

231b5e

git-author:

Frederik Heber <heber@…> (08/27/10 09:44:17)

git-committer:

Frederik Heber <heber@…> (08/28/10 00:57:56)

Message:

BUGFIX: graph info per bond is now output nicely.

• added operator<< to GraphNode class.
• changed GraphNode::OutputComponentNumber to receive ostream as parameter.
• is used in rewrite of GraphNode::OutputGraphInfo(), molecule::OutputGraphInfoPerBond()

Location:

src

Files:

• atom_graphnode.cpp (modified) (3 diffs)
• atom_graphnode.hpp (modified) (3 diffs)
• molecule_graph.cpp (modified) (1 diff)

src/atom_graphnode.cpp

@@ -19 +19 @@
 
 #include "Helpers/MemDebug.hpp"
+
+#include <iostream>
 
 #include "atom_graphnode.hpp"
@@ -41 +43 @@
 void GraphNode::OutputGraphInfo() const
 {
-  DoLog(2) && (Log() << Verbose(2) << "Atom " << getName() << " is " << ((SeparationVertex) ? "a" : "not a") << " separation vertex, components are ");
-  OutputComponentNumber();
+  DoLog(2) && (Log() << Verbose(2) << "Atom " << getName() << " is " << ((SeparationVertex) ? "a" : "not a") << " separation vertex, components are " << *this);
   DoLog(3) && (Log() << Verbose(3) << " with Lowpoint " << LowpointNr << " and Graph Nr. " << GraphNr << "." << endl);
 };
@@ -50 +51 @@
  * \param *out output stream for debugging
  */
-void GraphNode::OutputComponentNumber() const
+void GraphNode::OutputComponentNumber(ostream *out) const
 {
-  if (ComponentNr != NULL) {
-    for (int i=0; ComponentNr[i] != -1; i++)
-      DoLog(2) && (Log() << Verbose(2) << ComponentNr[i] << " ");
-  }
+  *out << *this;
 };
 
+ostream &operator<<(ostream &out, const GraphNode &a)
+{
+  if (a.ComponentNr != NULL) {
+    for (int i=0; a.ComponentNr[i] != -1; i++)
+      out << a.ComponentNr[i];
+  }
+  return out;
+}

src/atom_graphnode.hpp

@@ -19 +19 @@
 #endif
 
-#include <fstream>
+#include <iosfwd>
 
 #include "atom_graphnodeinfo.hpp"
@@ -35 +35 @@
 
   void OutputGraphInfo() const;
-  void OutputComponentNumber() const;
+  void OutputComponentNumber(ostream *out) const;
 
 private:
@@ -41 +41 @@
 };
 
+ostream &operator<<(ostream &out, const GraphNode &a);
+
 #endif /* ATOM_GRAPHNODE_HPP_ */

src/molecule_graph.cpp

@@ -653 +653 @@
       if ((*BondRunner)->leftatom == *AtomRunner) {
         Binder = *BondRunner;
-        DoLog(2) && (Log() << Verbose(2) << ((Binder->Type == TreeEdge) ? "TreeEdge " : "BackEdge ") << *Binder << ": <");
-        DoLog(0) && (Log() << Verbose(0) << ((Binder->leftatom->SeparationVertex) ? "SP," : "") << "L" << Binder->leftatom->LowpointNr << " G" << Binder->leftatom->GraphNr << " Comp.");
-        Binder->leftatom->OutputComponentNumber();
-        DoLog(0) && (Log() << Verbose(0) << " ===  ");
-        DoLog(0) && (Log() << Verbose(0) << ((Binder->rightatom->SeparationVertex) ? "SP," : "") << "L" << Binder->rightatom->LowpointNr << " G" << Binder->rightatom->GraphNr << " Comp.");
-        Binder->rightatom->OutputComponentNumber();
-        DoLog(0) && (Log() << Verbose(0) << ">." << endl);
+        if (DoLog(2)) {
+          ostream &out = (Log() << Verbose(2));
+          out << ((Binder->Type == TreeEdge) ? "TreeEdge " : "BackEdge ") << *Binder << ": <";
+          out << ((Binder->leftatom->SeparationVertex) ? "SP," : "") << "L" << Binder->leftatom->LowpointNr << " G" << Binder->leftatom->GraphNr << " Comp.";
+          Binder->leftatom->OutputComponentNumber(&out);
+          out << " ===  ";
+          out << ((Binder->rightatom->SeparationVertex) ? "SP," : "") << "L" << Binder->rightatom->LowpointNr << " G" << Binder->rightatom->GraphNr << " Comp.";
+          Binder->rightatom->OutputComponentNumber(&out);
+          out << ">." << endl;
+        }
         if (Binder->Cyclic) // cyclic ??
           DoLog(3) && (Log() << Verbose(3) << "Lowpoint at each side are equal: CYCLIC!" << endl);