- Timestamp:
- Jul 2, 2010, 2:58:39 PM (14 years ago)
- 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:
- d4103c8
- Parents:
- ce3d2b
- git-author:
- Tillmann Crueger <crueger@…> (07/02/10 14:28:52)
- git-committer:
- Tillmann Crueger <crueger@…> (07/02/10 14:58:39)
- File:
-
- 1 edited
Legend:
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- Added
- Removed
-
src/graph.hpp
rce3d2b rc37386 27 27 class molecule; 28 28 29 class Graph;30 29 class SubGraph; 31 30 class Node; … … 34 33 /********************************************** definitions *********************************/ 35 34 36 #define NodeMap pair < int, class Node* > 37 #define EdgeMap multimap < class Node*, class Edge* > 35 typedef std::pair < int, class Node* > NodeMap; 36 typedef std::multimap < class Node*, class Edge* > EdgeMap; 38 37 39 #define KeyStack deque<int> 40 #define KeySet set<int> 41 #define NumberValuePair pair<int, double> 42 #define Graph map <KeySet, NumberValuePair, KeyCompare > 43 #define GraphPair pair <KeySet, NumberValuePair > 44 #define KeySetTestPair pair<KeySet::iterator, bool> 45 #define GraphTestPair pair<Graph::iterator, bool> 38 typedef std::deque<int> KeyStack; 39 typedef std::set<int> KeySet; 40 typedef std::pair<int, double> NumberValuePair; 46 41 47 48 /******************************** Some small functions and/or structures **********************************/ 49 42 // needed for definition of Graph and GraphTestPair 50 43 struct KeyCompare 51 44 { 52 45 bool operator() (const KeySet SubgraphA, const KeySet SubgraphB) const; 53 46 }; 47 48 typedef std::map <KeySet, NumberValuePair, KeyCompare > Graph; 49 typedef std::pair <KeySet, NumberValuePair > GraphPair; 50 typedef std::pair<KeySet::iterator, bool> KeySetTestPair; 51 typedef pair<Graph::iterator, bool> GraphTestPair; 52 53 54 /******************************** Some small functions and/or structures **********************************/ 54 55 55 56 //bool operator < (KeySet SubgraphA, KeySet SubgraphB); //note: this declaration is important, otherwise normal < is used (producing wrong order)
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