Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Last change
on this file since 4464ef was 6f0841, checked in by Frederik Heber <heber@…>, 13 years ago |
Shifted all modules related to atoms into own subfolder src/Atom/
- also created own convenience library for this. This makes unit testing on
list containing TesselPoint or atom a lot easier.
- shifted TesselPoint to src/Atom from src/Tesselation and adapted include's.
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Property mode
set to
100644
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File size:
1.4 KB
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1 | /*
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2 | * atom_graphnodeinfo.hpp
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3 | *
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4 | * Created on: Oct 19, 2009
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef ATOM_GRAPHNODEINFO_HPP_
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9 | #define ATOM_GRAPHNODEINFO_HPP_
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10 |
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11 | using namespace std;
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12 |
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13 | /*********************************************** includes ***********************************/
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14 |
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15 | // include config.h
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16 | #ifdef HAVE_CONFIG_H
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17 | #include <config.h>
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18 | #endif
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19 |
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20 | /****************************************** forward declarations *****************************/
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21 |
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22 | class atom;
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23 |
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24 | /********************************************** declarations *******************************/
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25 |
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26 | class GraphNode;
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27 |
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28 | class GraphNodeInfo {
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29 | public:
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30 |
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31 | int GraphNr; //!< unique number, given in DepthFirstSearchAnalysis()
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32 | int *ComponentNr;//!< belongs to this non-separable components, given in DepthFirstSearchAnalysis() (if more than one, then is SeparationVertex)
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33 | int LowpointNr; //!< needed in DepthFirstSearchAnalysis() to detect non-separable components, is the lowest possible number of an atom to reach via tree edges only followed by at most one back edge.
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34 | bool SeparationVertex; //!< whether this atom separates off subsets of atoms or not, determined in DepthFirstSearchAnalysis()
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35 | bool IsCyclic; //!< whether atom belong to as cycle or not, determined in DepthFirstSearchAnalysis()
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36 | atom *Ancestor; //!< "Father" in Depth-First-Search
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37 |
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38 | GraphNodeInfo();
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39 | virtual ~GraphNodeInfo();
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40 | private:
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41 |
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42 | };
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43 |
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44 | #endif /* ATOM_GRAPHNODEINFO_HPP_ */
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