source: src/FunctionApproximation/Subgraph/PotentialSubgraph.hpp@ 91a3f7

Fix_FitPotential_needs_atomicnumbers
Last change on this file since 91a3f7 was 91a3f7, checked in by Frederik Heber <heber@…>, 9 years ago

tempcommit: Missing cstor to PotentialSubgraph.

  • Property mode set to 100644
File size: 1.1 KB
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
28 //!> typedef for vector of edges
29 typedef std::vector<SubgraphEdge> edges_t;
30
31 /** Cstor of class PotentialSubgraph.
32 *
33 * \param _edges list of edges
34 */
35 PotentialSubgraph(const edges_t &_edges) :
36 edges(_edges)
37 {}
38
39 /** Adds an edge to the subgraph.
40 *
41 *\param _edge edge to add
42 */
43 void add_edge(const SubgraphEdge &_edge)
44 { edges.push_back(_edge); }
45
46 /** Const getter for the edge set of the subgraph.
47 *
48 */
49 const edges_t & getEdges() const
50 { return edges; }
51
52private:
53 edges_t edges;
54};
55
56
57#endif /* POTENTIALS_POTENTIALSUBGRAPH_HPP_ */
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