Changeset 42c9e2 for src/Graph/CheckAgainstAdjacencyFile.cpp

Timestamp:

Nov 4, 2011, 3:20:22 PM (13 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:

46bba0

Parents:

13c969

git-author:

Frederik Heber <heber@…> (11/02/11 03:46:07)

git-committer:

Frederik Heber <heber@…> (11/04/11 15:20:22)

Message:

FIX: getKeys() and getValues() are now simply internal functions of CheckAgainstAdjacencyFile.

• somehow it was not admonished that the templated variants before did access private parts of CheckAgainstAdjacencyFile without being friends.

File:

• src/Graph/CheckAgainstAdjacencyFile.cpp (modified) (5 diffs)

src/Graph/CheckAgainstAdjacencyFile.cpp

@@ -21 +21 @@
 
 #include <iostream>
+#include <map>
+#include <set>
+#include <utility>
 
 #include "CheckAgainstAdjacencyFile.hpp"
@@ -137 +140 @@
 }
 
-template <class T>
-CheckAgainstAdjacencyFile::KeysSet getKeys(const CheckAgainstAdjacencyFile::AtomBondRange &_range)
-{
-  CheckAgainstAdjacencyFile::KeysSet Keys;
-  for (typename T::const_iterator iter = _range.first;
+CheckAgainstAdjacencyFile::KeysSet CheckAgainstAdjacencyFile::getKeys(const CheckAgainstAdjacencyFile::AtomBondRange &_range) const
+{
+  KeysSet Keys;
+  for (AtomBondMap::const_iterator iter = _range.first;
       iter != _range.second;
       ++iter) {
@@ -149 +151 @@
 }
 
-template <class T>
-CheckAgainstAdjacencyFile::ValuesSet getValues(const CheckAgainstAdjacencyFile::AtomBondRange&_range)
-{
-  CheckAgainstAdjacencyFile::ValuesSet Values;
-  for (typename T::const_iterator iter = _range.first;
+CheckAgainstAdjacencyFile::ValuesSet CheckAgainstAdjacencyFile::getValues(const CheckAgainstAdjacencyFile::AtomBondRange&_range) const
+{
+  ValuesSet Values;
+  for (AtomBondMap::const_iterator iter = _range.first;
       iter != _range.second;
       ++iter) {
@@ -197 +198 @@
   const AtomBondRange Intrange(InternalAtomBondMap.begin(), InternalAtomBondMap.end());
   const AtomBondRange Extrange(ExternalAtomBondMap.begin(), ExternalAtomBondMap.end());
-  KeysSet InternalKeys( getKeys<AtomBondMap>(Intrange) );
-  KeysSet ExternalKeys( getKeys<AtomBondMap>(Extrange) );
+  KeysSet InternalKeys( getKeys(Intrange) );
+  KeysSet ExternalKeys( getKeys(Extrange) );
 
 //  std::cout << "InternalKeys: " << InternalKeys << std::endl;
@@ -226 +227 @@
     const AtomBondRange IntRange( InternalAtomBondMap.equal_range(*keyIter) );
     const AtomBondRange ExtRange( ExternalAtomBondMap.equal_range(*keyIter) );
-    ValuesSet InternalValues( getValues<AtomBondMap>(IntRange) );
-    ValuesSet ExternalValues( getValues<AtomBondMap>(ExtRange) );
+    ValuesSet InternalValues( getValues(IntRange) );
+    ValuesSet ExternalValues( getValues(ExtRange) );
 //    std::cout << "InternalValues: " << InternalValues << std::endl;
 //    std::cout << "ExternalValues: " << ExternalValues << std::endl;