Changeset e15ffe

Timestamp:

Dec 3, 2012, 9:50:02 AM (12 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:

67db80

Parents:

54a561

git-author:

Frederik Heber <heber@…> (10/19/12 06:50:45)

git-committer:

Frederik Heber <heber@…> (12/03/12 09:50:02)

Message:

Added HomologyContainer::operator<<().

Location:

src/Fragmentation/Homology

Files:

• HomologyContainer.cpp (modified) (1 diff)
• HomologyContainer.hpp (modified) (5 diffs)

src/Fragmentation/Homology/HomologyContainer.cpp

@@ -39 +39 @@
 #include "HomologyContainer.hpp"
 
+#include <iostream>
+
 #include "Fragmentation/Graph.hpp"
 
+std::ostream& operator<<(std::ostream &out, const HomologyContainer &homologycontainer)
+{
+  for(HomologyContainer::container_t::const_iterator iter = homologycontainer.container.begin();
+      iter != homologycontainer.container.end(); ++iter) {
+    out << "Graph: " << iter->first
+        << ", (Fragment " << iter->second.first
+        << ":" << iter->second.second << ")\n";
+  }
+  return out;
+}
+
+std::ostream& operator<<(std::ostream &out, const Fragment &container)
+{
+  out << "Dummy fragment";
+  return out;
+}
+

src/Fragmentation/Homology/HomologyContainer.hpp

@@ -15 +15 @@
 #endif
 
+#include <iosfwd>
 #include <map>
 #include <vector>
@@ -22 +23 @@
 class Fragment
 {
+  //!> grant access to output operator
+  friend std::ostream& operator<<(std::ostream &out, const Fragment &container);
 public:
   typedef std::vector<double> position_t;
@@ -32 +35 @@
 };
 
+std::ostream& operator<<(std::ostream &out, const Fragment &container);
 
 /** This class takes all KeySets in a Graph, checks for those that homologues
@@ -46 +50 @@
 class HomologyContainer
 {
+  //!> grant access to output operator
+  friend std::ostream& operator<<(std::ostream &out, const HomologyContainer &container);
 public:
   typedef double energy_t;
@@ -91 +97 @@
 };
 
+/** Output operator for HomologyContainer.
+ *
+ * \param out output stream
+ * \param container container to print
+ * \return output stream for concatenation
+ */
+std::ostream& operator<<(std::ostream &out, const HomologyContainer &container);
 
 #endif /* HOMOLOGYCONTAINER_HPP_ */