Ignore:
Timestamp:
May 18, 2016, 10:02:06 PM (9 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, 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_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, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, 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:
16d67a
Parents:
bd6e5c
git-author:
Frederik Heber <heber@…> (03/07/16 14:01:17)
git-committer:
Frederik Heber <heber@…> (05/18/16 22:02:06)
Message:

AtomFragmentsMap is now a Singleton and part of Homology code.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Fragmentation/Makefile.am

    rbd6e5c rd713ce  
    1212        Fragmentation/Exporters/SphericalPointDistribution.cpp \
    1313        Fragmentation/Exporters/SphericalPointDistribution_getPoints.cpp \
     14        Fragmentation/Homology/AtomFragmentsMap.cpp \
    1415        Fragmentation/Homology/FragmentEdge.cpp \
    1516        Fragmentation/Homology/FragmentNode.cpp \
     
    1718        Fragmentation/Homology/HomologyGraph.cpp \
    1819        Fragmentation/AdaptivityMap.cpp \
    19         Fragmentation/AtomFragmentsMap.cpp \
    2020        Fragmentation/BondsPerShortestPath.cpp \
    2121        Fragmentation/EnergyMatrix.cpp \
     
    4242        Fragmentation/Exporters/SaturationDistanceMaximizer.hpp \
    4343        Fragmentation/Exporters/SphericalPointDistribution.hpp \
     44        Fragmentation/Homology/AtomFragmentsMap.hpp \
    4445        Fragmentation/Homology/FragmentEdge.hpp \
    4546        Fragmentation/Homology/FragmentNode.hpp \
     
    4748        Fragmentation/Homology/HomologyGraph.hpp \
    4849        Fragmentation/AdaptivityMap.hpp \
    49         Fragmentation/AtomFragmentsMap.hpp \
    5050        Fragmentation/AtomMask.hpp \
    5151        Fragmentation/BondsPerShortestPath.hpp \
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