Changeset fc08c7

Timestamp:

Oct 3, 2016, 6:03:48 PM (8 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Fix_FitPotential_needs_atomicnumbers

Children:

6cfb22a

Parents:

fdd789

Message:

ATTEMPT: Tried to add all subgraph in graph finding to Extractors::reorderArg..().

File:

• src/FunctionApproximation/Extractors.cpp (modified) (2 diffs)

src/FunctionApproximation/Extractors.cpp

@@ -157 +157 @@
 }
 
+static std::vector<PotentialGraph>
+findSubgraphsInPotentialGraph(const PotentialGraph &_graph, const PotentialGraph &_subgraph)
+{
+  std::vector<PotentialGraph> list_of_subgraphs;
+
+  return list_of_subgraphs;
+}
+
+
 FunctionModel::list_of_arguments_t Extractors::reorderArgumentsByParticleTypes(
     const FunctionModel::list_of_arguments_t &listargs,
@@ -197 +206 @@
     LOG(4, "DEBUG: Created unique types as keys " << UniqueTypes << ".");
 
+    /// take the (filtered) list of args and convert into graph
+    PotentialGraph fragmentgraph;
+    for(FunctionModel::arguments_t::const_iterator iter = args.begin();
+        iter != args.end(); ++iter)
+      fragmentgraph.add_edge( static_cast<const SubgraphEdge&>(*iter));
+
+    /// find all subgraphs to the given potential subgraph
+    std::vector<PotentialGraph > list_of_subgraphs =
+        findSubgraphsInPotentialGraph(fragmentgraph, _subgraph);
+
+    /// convert into tuples with each subgraph sorted by _types
+
+//    /// turn fragment into graph from the known edges
+//    boost::adjacency_list<> fragmentgraph(_types.size());
+//    boost::property_map < boost::adjacency_list <>, ParticleType_t > types_map;
+//    typedef typename boost::graph_traits<Graph>::vertex_descriptor Vertex;
+//    typedef typename boost::graph_traits<Graph>::edge_descriptor Edge;
+//    for(FunctionModel::arguments_t::const_iterator iter = args.begin();
+//        iter != args.end(); ++iter) {
+//      std::pair<Edge, bool> inserter =
+//          boost::add_edge(iter->indices.first, iter->indices.second, fragmentgraph);
+//      ASSERT( inserter.second,
+//          "Extractors::reorderArgumentsByParticleTypes() - cannot insert edge between "
+//          +toString(iter->indices.first)+" and "+toString(iter->indices.second));
+//      // add type to property map
+//      Vertex u = boost::source(inserter.first,fragmentgraph);
+//      boost::put(types_map, u, iter->types.first);
+//      Vertex v = boost::source(inserter.first,fragmentgraph);
+//      boost::put(types_map, v, iter->types.second);
+//    }
+//    // create property map with index
+//    boost::property_map < boost::adjacency_list <>, boost::vertex_index_t >::type
+//        index_map = boost::get(boost::vertex_index, fragmentgraph);
+//
+//    // use list of types to obtain all possible candidate graphs
+//
+//    // compare candidate graph with potential's subgraph
+//
+//    // ensure uniqueness of candidate graphs
+//
+//    // step through every vertex
+//    boost::graph_traits < boost::adjacency_list <> >::vertex_iterator i, end;
+//    for (boost::tie(i, end) = boost::vertices(fragmentgraph); i != end; ++i) {
+//      // step through every adjacent vertex
+//      boost::graph_traits < boost::adjacency_list <> >::adjacency_iterator ai, a_end;
+//      boost::tie(ai, a_end) = boost::adjacent_vertices(*i, fragmentgraph);
+//      for (; ai != a_end; ++ai) {
+//        // look ahead at next vertex
+//        if (boost::next(ai) != a_end) {}
+//      }
+//    }
 
     /// Finally, we use the unique key list to pick corresponding arguments from the map