Changeset 0fad93 for src/Graph/AdjacencyList.hpp

Timestamp:

Dec 3, 2012, 9:50:01 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:

5197e5

Parents:

91207d

git-author:

Frederik Heber <heber@…> (09/20/12 16:31:44)

git-committer:

Frederik Heber <heber@…> (12/03/12 09:50:01)

Message:

Renamed CheckAgainstAdjacencyFile -> AdjacencyList.

• operator() is now CheckAgainstSubset().

File:

• src/Graph/AdjacencyList.hpp (moved) (moved from src/Graph/CheckAgainstAdjacencyFile.hpp ) (4 diffs)

src/Graph/AdjacencyList.hpp

@@ -1 +1 @@
 /*
- * CheckAgainstAdjacencyFile.hpp
+ * AdjacencyList.hpp
  *
  *  Created on: Mar 3, 2011
@@ -6 +6 @@
  */
 
-#ifndef CHECKAGAINSTADJACENCYFILE_HPP_
-#define CHECKAGAINSTADJACENCYFILE_HPP_
+#ifndef ADJACENCYLIST_HPP_
+#define ADJACENCYLIST_HPP_
 
 // include config.h
@@ -23 +23 @@
 class atom;
 
-/** This class contains the bond structure inside an internal map of atoms which
- * each bond neighbor parsed from an external file.
+/** This class contains the adjacency structure inside an internal map of atoms.
+ *
+ * The adjacency structure is either from a file or from a given set of atoms.
  *
  * We may compare a subset of atoms against this internal bond structure. It is
  * true it is a true subset of the bond structure.
  */
-class CheckAgainstAdjacencyFile
+class AdjacencyList
 {
   //!> Unit test is granted access to internal data
-  friend class CheckAgainstAdjacencyFileTest;
+  friend class AdjacencyListTest;
 public:
-  CheckAgainstAdjacencyFile(std::istream &File);
-  ~CheckAgainstAdjacencyFile();
-
   typedef std::vector<atomId_t> atomids_t;
 
-  bool operator()(const atomids_t &atoms);
+  AdjacencyList(std::istream &File);
+  AdjacencyList(const atomids_t &atoms);
+  ~AdjacencyList();
+
+  bool CheckAgainstSubset(const atomids_t &atoms);
 
 private:
@@ -59 +61 @@
 };
 
-#endif /* CHECKAGAINSTADJACENCYFILE_HPP_ */
+#endif /* ADJACENCYLIST_HPP_ */