Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since bccbe9 was bccbe9, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
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Extracted extraction (subset of) nodes from BoostGraph into BreadthFirstSearchGatherer.
- also added helper namespace BoostGraphHelpers.
- we now treat the vertex indices and vertex names properly. Before that they
had to coincide. Now, the name is the atomic id associated with the node
and the index is the boost::graph internal index.
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Property mode
set to
100644
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File size:
1.0 KB
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| 1 | /*
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| 2 | * BreadthFirstSearchGatherer.hpp
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| 3 | *
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| 4 | * Created on: May 17, 2017
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 |
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| 9 | #ifndef GRAPH_BREADTHFIRSTSEARCHGATHERER_HPP_
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| 10 | #define GRAPH_BREADTHFIRSTSEARCHGATHERER_HPP_
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | #include <stddef.h>
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| 18 | #include <vector>
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| 19 |
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| 20 | #include "types.hpp"
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| 21 |
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| 22 | struct BoostGraphCreator;
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| 23 |
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| 24 | /** This struct performs a BFS on a given boost::graph and finds
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| 25 | * all nodes, i.e. atoms, up to a given limit.
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| 26 | */
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| 27 | struct BreadthFirstSearchGatherer
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| 28 | {
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| 29 | /** Cstor of class BreadthFirstSearchGatherer.
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| 30 | *
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| 31 | * \param _graph graph to work on
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| 32 | */
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| 33 | BreadthFirstSearchGatherer(BoostGraphCreator &_graph);
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| 34 |
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| 35 | /** Discovers all nodes from the given \a _discoverfrom and returns
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| 36 | * the vector of ids.
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| 37 | */
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| 38 | std::vector<atomId_t> operator()(const atomId_t &_discoverfrom);
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| 39 |
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| 40 | private:
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| 41 | //!> typedef for a vector with BFS discovery distances
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| 42 | typedef std::vector<size_t> distances_t;
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| 43 |
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| 44 | //!> graph to operate on
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| 45 | BoostGraphCreator &BGcreator;
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| 46 | };
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| 47 |
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| 48 |
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| 49 | #endif /* GRAPH_BREADTHFIRSTSEARCHGATHERER_HPP_ */
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