Changeset 11bab4 for src/FunctionApproximation

Timestamp:

Oct 3, 2016, 11:26:02 AM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Fix_FitPotential_needs_atomicnumbers

Children:

de81b9

Parents:

0b7036

Message:

Extractors now need a subgraph and the set of particle types.

Location:

src/FunctionApproximation

Files:

• Extractors.cpp (modified) (2 diffs)
• Extractors.hpp (modified) (2 diffs)

src/FunctionApproximation/Extractors.cpp

@@ -160 +160 @@
 FunctionModel::list_of_arguments_t Extractors::reorderArgumentsByParticleTypes(
     const FunctionModel::list_of_arguments_t &listargs,
-    const ParticleTypes_t &_types
+    const ParticleTypes_t &_types,
+    const boost::adjacency_list<> &_subgraph
     )
 {
@@ -313 +314 @@
 FunctionModel::list_of_arguments_t Extractors::filterArgumentsByParticleTypes(
     const FunctionModel::arguments_t &args,
-    const ParticleTypes_t &_types
+    const ParticleTypes_t &_types,
+    const boost::adjacency_list<> &_subgraph
     )
 {

src/FunctionApproximation/Extractors.hpp

@@ -104 +104 @@
    *
    * \param listargs list of arguments to reorder each
-   * \param _types particle type vector
+   * \param _types particle type vector which gives the order of the distance arguments
+   * \param _subgraph specifies the subgraph which we need to find in the arguments
    * \return reordered args
    */
   FunctionModel::list_of_arguments_t reorderArgumentsByParticleTypes(
       const FunctionModel::list_of_arguments_t &eachargs,
-      const ParticleTypes_t &_types
+      const ParticleTypes_t &_types,
+      const boost::adjacency_list<> &_subgraph
       );
 
@@ -118 +120 @@
    *
    * \param args arguments to reorder
-   * \param _types particle type vector
+   * \param _types particle type vector which gives the order of the distance arguments
+   * \param _subgraph specifies the subgraph which we need to find in the arguments
    * \return filtered list of args
    */
   FunctionModel::list_of_arguments_t filterArgumentsByParticleTypes(
       const FunctionModel::arguments_t &args,
-      const ParticleTypes_t &_types
+      const ParticleTypes_t &_types,
+      const boost::adjacency_list<> &_subgraph
       );