source: src/FunctionApproximation/Subgraph/PotentialSubgraph.hpp@ 35760a

Fix_FitPotential_needs_atomicnumbers
Last change on this file since 35760a was 96af51, checked in by Frederik Heber <heber@…>, 9 years ago

tempcommit: Changes to PotentialSubgraph due to move.

  • Property mode set to 100644
File size: 985 bytes
Line 
1/*
2 * PotentialSubgraph.hpp
3 *
4 * Created on: Oct 3, 2016
5 * Author: heber
6 */
7
8
9#ifndef POTENTIALS_POTENTIALSUBGRAPH_HPP_
10#define POTENTIALS_POTENTIALSUBGRAPH_HPP_
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include <vector>
18
19#include "../../FunctionApproximation/Subgraph/SubgraphEdge.hpp"
20
21/** This class contains the specific definition of a subgraph that a specific
22 * empirical potential models. Note that the graph is undirected.
23 */
24class PotentialSubgraph
25{
26public:
27 PotentialSubgraph();
28 ~PotentialSubgraph();
29
30 //!> typedef for vector of edges
31 typedef std::vector<SubgraphEdge> edges_t;
32
33 /** Adds an edge to the subgraph.
34 *
35 *\param _edge edge to add
36 */
37 void add_edge(const SubgraphEdge &_edge)
38 { edges.push_back(_edge); }
39
40 /** Const getter for the edge set of the subgraph.
41 *
42 */
43 const edges_t & getEdges() const
44 { return edges; }
45
46private:
47 edges_t edges;
48};
49
50
51#endif /* POTENTIALS_POTENTIALSUBGRAPH_HPP_ */
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