Changeset 6d08032
- Timestamp:
- Oct 3, 2016, 5:11:26 PM (9 years ago)
- Branches:
- Fix_FitPotential_needs_atomicnumbers
- Children:
- 4266eb
- Parents:
- de81b9
- Location:
- src
- Files:
-
- 5 added
- 4 edited
-
FunctionApproximation/Extractors.cpp (modified) (3 diffs)
-
FunctionApproximation/Extractors.hpp (modified) (2 diffs)
-
Potentials/Makefile.am (modified) (1 diff)
-
Potentials/Subgraph/PotentialSubgraph.hpp (added)
-
Potentials/Subgraph/SubgraphEdge.hpp (added)
-
Potentials/Subgraph/unittests/Makefile.am (added)
-
Potentials/Subgraph/unittests/SubgraphEdgeUnitTest.cpp (added)
-
Potentials/Subgraph/unittests/SubgraphEdgeUnitTest.hpp (added)
-
unittests/Makefile.am (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
src/FunctionApproximation/Extractors.cpp
rde81b9 r6d08032 161 161 const FunctionModel::list_of_arguments_t &listargs, 162 162 const ParticleTypes_t &_types, 163 const boost::adjacency_list<>&_subgraph163 const PotentialSubgraph &_subgraph 164 164 ) 165 165 { … … 306 306 const FunctionModel::arguments_t &args, 307 307 const ParticleTypes_t &_types, 308 const boost::adjacency_list<>&_subgraph308 const PotentialSubgraph &_subgraph 309 309 ) 310 310 { … … 365 365 singlelist_allargs.push_back(allargs); 366 366 FunctionModel::list_of_arguments_t sortedargs = 367 reorderArgumentsByParticleTypes(singlelist_allargs, _types );367 reorderArgumentsByParticleTypes(singlelist_allargs, _types, _subgraph); 368 368 ASSERT( sortedargs.size() == (size_t)1, 369 369 "Extractors::filterArgumentsByParticleTypes() - reordering did not generate a single list."); -
src/FunctionApproximation/Extractors.hpp
rde81b9 r6d08032 111 111 const FunctionModel::list_of_arguments_t &eachargs, 112 112 const ParticleTypes_t &_types, 113 const boost::adjacency_list<>&_subgraph113 const PotentialSubgraph &_subgraph 114 114 ); 115 115 … … 127 127 const FunctionModel::arguments_t &args, 128 128 const ParticleTypes_t &_types, 129 const boost::adjacency_list<>&_subgraph129 const PotentialSubgraph &_subgraph 130 130 ); 131 131 -
src/Potentials/Makefile.am
rde81b9 r6d08032 63 63 Potentials/StreamFactory.hpp \ 64 64 Potentials/StreamFactory_EmpiricalPotential.hpp \ 65 Potentials/Subgraph/PotentialSubgraph.hpp \ 66 Potentials/Subgraph/SubgraphEdge.hpp \ 65 67 Potentials/TremoloPotentialFileParser.hpp \ 66 68 Potentials/TremoloPotentialTypes.hpp -
src/unittests/Makefile.am
rde81b9 r6d08032 37 37 include ../../src/Potentials/unittests/Makefile.am 38 38 include ../../src/Potentials/Specifics/unittests/Makefile.am 39 include ../../src/Potentials/Subgraph/unittests/Makefile.am 39 40 include ../../src/RandomNumbers/unittests/Makefile.am 40 41 include ../../src/Shapes/unittests/Makefile.am
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