Changeset b794f5 for src/Potentials/Specifics/FourBodyPotential_Improper.hpp

Timestamp:

Oct 3, 2016, 5:26:53 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Fix_FitPotential_needs_atomicnumbers

Children:

ce0b0c

Parents:

7ec605

Message:

tempcommit: Add ..Potentials need to supply PotentialSubgraph instead of adjacency_list.

File:

• src/Potentials/Specifics/FourBodyPotential_Improper.hpp (modified) (2 diffs)

src/Potentials/Specifics/FourBodyPotential_Improper.hpp

@@ -55 +55 @@
   /** Provides the specific subgraph for this specific empirical potential.
    *
-   * \return subgraph encoded as boost::graph's adjacency_list
+   * \return subgraph describing the potential's bonding model
    */
-  boost::adjacency_list<> getSubgraph() const;
+  const PotentialSubgraph& getSubgraph() const
+  { return subgraph; }
 
 public:
@@ -98 +99 @@
   //!> internal coordinator object for converting arguments_t
   static Coordinator::ptr coordinator;
+
+  //!> internal subgraph describing the subgraph modeled by this potential
+  static const PotentialSubgraph subgraph;
 };