AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
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| [09ac12] | 1 | /*
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| 2 | * ConnectedSubgraph.hpp
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| 3 | *
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| 4 | * Created on: Feb 16, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef DISCONNECTEDSUBGRAPH_HPP_
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| 9 | #define DISCONNECTEDSUBGRAPH_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 | #include <list>
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| 17 | #include <iosfwd>
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| 18 |
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| 19 | class atom;
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| 20 | class molecule;
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| 21 |
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| 22 | typedef std::list<atom *> AtomList;
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| 23 |
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| 24 | class ConnectedSubgraph : public AtomList
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| 25 | {
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| 26 | public:
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| 27 | ConnectedSubgraph();
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| 28 | ~ConnectedSubgraph();
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| 29 |
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| 30 | /** Create a new molecule in the World and add all contained atoms.
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| 31 | *
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| 32 | * @return pointer to filled molecule
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| 33 | */
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| 34 | molecule * getMolecule() const;
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| 35 |
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| 36 | private:
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| 37 | };
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| 38 |
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| 39 | std::ostream & operator<<(std::ostream &ost, const ConnectedSubgraph &graph);
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| 40 |
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| 41 | #endif /* DISCONNECTEDSUBGRAPH_HPP_ */
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