Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
Last change
on this file since 37fe17 was 129204, checked in by Frederik Heber <heber@…>, 14 years ago |
Moved bond.* to Bond/, new class GraphEdge which contains graph parts of bond.
- enums Shading and EdgeType are now part of GraphEdge, hence bigger change in
the code where these are used.
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-
Property mode
set to
100644
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File size:
1.4 KB
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[129204] | 1 | /*
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| 2 | * GraphEdge.hpp
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| 3 | *
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| 4 | * Created on: Feb 25, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef GRAPHEDGE_HPP_
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| 9 | #define GRAPHEDGE_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 | /** This class represents all features of a bond as used within graph
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| 17 | * algorithms.
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| 18 | */
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| 19 | class GraphEdge
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| 20 | {
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| 21 | public:
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| 22 | /** Constructor.
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| 23 | */
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| 24 | GraphEdge();
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| 25 | /** Destructor.
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| 26 | */
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| 27 | virtual ~GraphEdge();
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| 28 |
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| 29 | enum EdgeType { Undetermined, TreeEdge, BackEdge }; //!< edge type in a graph after Depth-First-Search analysis.
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| 30 | enum Shading { white, lightgray, darkgray, black }; //!< color in Breadth-First-Search analysis
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| 31 |
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| 32 | bool Cyclic; //!< flag whether bond is part of a cycle or not, given in DepthFirstSearchAnalysis()
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| 33 | enum EdgeType Type;//!< whether this is a tree or back edge
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| 34 |
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| 35 | /** Marks vertex as used in DFS.
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| 36 | * \param color color to mark bond with
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| 37 | * \return bond::Used, false if bond was already marked used
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| 38 | */
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| 39 | bool MarkUsed(const enum Shading color);
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| 40 |
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| 41 | /** Returns whether vertex was used in DFS.
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| 42 | * \return bond::Used
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| 43 | */
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| 44 | enum Shading IsUsed();
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| 45 |
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| 46 | /** Resets used flag in DFS.
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| 47 | * \return bond::Used
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| 48 | */
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| 49 | void ResetUsed();
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| 50 |
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| 51 | /** Returns Shading as a char string.
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| 52 | * \param color the Shading
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| 53 | * \return string of the flag
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| 54 | */
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| 55 | static std::string getColorName(enum Shading color);
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| 56 |
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| 57 | private:
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| 58 | enum Shading Used; //!< marker in depth-first search, DepthFirstSearchAnalysis()
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| 59 |
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| 60 | };
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| 61 |
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| 62 | #endif /* GRAPHEDGE_HPP_ */
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