Changeset ddb998 for src/FunctionApproximation/Subgraph
- Timestamp:
- Oct 3, 2016, 5:40:40 PM (9 years ago)
- Branches:
- Fix_FitPotential_needs_atomicnumbers
- Children:
- ffad62
- Parents:
- a14673
- Location:
- src/FunctionApproximation/Subgraph
- Files:
-
- 1 edited
- 1 moved
-
PotentialGraph.hpp (moved) (moved from src/FunctionApproximation/Subgraph/PotentialSubgraph.hpp ) (5 diffs)
-
SubgraphEdge.hpp (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
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src/FunctionApproximation/Subgraph/PotentialGraph.hpp
ra14673 rddb998 1 1 /* 2 * Potential Subgraph.hpp2 * PotentialGraph.hpp 3 3 * 4 4 * Created on: Oct 3, 2016 … … 7 7 8 8 9 #ifndef POTENTIALS_POTENTIAL SUBGRAPH_HPP_10 #define POTENTIALS_POTENTIAL SUBGRAPH_HPP_9 #ifndef POTENTIALS_POTENTIALGRAPH_HPP_ 10 #define POTENTIALS_POTENTIALGRAPH_HPP_ 11 11 12 12 // include config.h … … 17 17 #include <vector> 18 18 19 #include " ../../FunctionApproximation/Subgraph/SubgraphEdge.hpp"19 #include "FunctionApproximation/Subgraph/SubgraphEdge.hpp" 20 20 21 21 /** This class contains the specific definition of a subgraph that a specific 22 22 * empirical potential models. Note that the graph is undirected. 23 23 */ 24 class Potential Subgraph24 class PotentialGraph 25 25 { 26 26 public: … … 29 29 typedef std::vector<SubgraphEdge> edges_t; 30 30 31 /** Default cstor of class Potential Subgraph.31 /** Default cstor of class PotentialGraph. 32 32 * 33 33 */ 34 Potential Subgraph()34 PotentialGraph() 35 35 {} 36 36 37 /** Cstor of class Potential Subgraph.37 /** Cstor of class PotentialGraph. 38 38 * 39 39 * \param _edges list of edges 40 40 */ 41 Potential Subgraph(const edges_t &_edges) :41 PotentialGraph(const edges_t &_edges) : 42 42 edges(_edges) 43 43 {} … … 61 61 62 62 63 #endif /* POTENTIALS_POTENTIAL SUBGRAPH_HPP_ */63 #endif /* POTENTIALS_POTENTIALGRAPH_HPP_ */ -
src/FunctionApproximation/Subgraph/SubgraphEdge.hpp
ra14673 rddb998 15 15 #endif 16 16 17 /** This class represents a single edge in a Potential Subgraph.17 /** This class represents a single edge in a PotentialGraph. 18 18 * 19 19 * Each edge contains two indices and two types.
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