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make topology independent of entity handle to make more
generic usage possible. This leads to slight interface changes
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- modules/mol/mm/examples/ethanol_example_using_topology.py 2 additions, 2 deletionsmodules/mol/mm/examples/ethanol_example_using_topology.py
- modules/mol/mm/examples/gb_example.py 1 addition, 1 deletionmodules/mol/mm/examples/gb_example.py
- modules/mol/mm/examples/gb_example_traj.dcd 0 additions, 0 deletionsmodules/mol/mm/examples/gb_example_traj.dcd
- modules/mol/mm/examples/gb_example_view_trajectory.py 4 additions, 2 deletionsmodules/mol/mm/examples/gb_example_view_trajectory.py
- modules/mol/mm/pymod/export_simulation.cc 3 additions, 3 deletionsmodules/mol/mm/pymod/export_simulation.cc
- modules/mol/mm/pymod/export_topology.cc 7 additions, 15 deletionsmodules/mol/mm/pymod/export_topology.cc
- modules/mol/mm/src/mm_observer.cc 9 additions, 9 deletionsmodules/mol/mm/src/mm_observer.cc
- modules/mol/mm/src/mm_observer.hh 6 additions, 3 deletionsmodules/mol/mm/src/mm_observer.hh
- modules/mol/mm/src/simulation.cc 186 additions, 33 deletionsmodules/mol/mm/src/simulation.cc
- modules/mol/mm/src/simulation.hh 4 additions, 2 deletionsmodules/mol/mm/src/simulation.hh
- modules/mol/mm/src/topology.cc 194 additions, 351 deletionsmodules/mol/mm/src/topology.cc
- modules/mol/mm/src/topology.hh 7 additions, 144 deletionsmodules/mol/mm/src/topology.hh
- modules/mol/mm/src/topology_creator.cc 106 additions, 47 deletionsmodules/mol/mm/src/topology_creator.cc
- modules/mol/mm/src/topology_creator.hh 1 addition, 1 deletionmodules/mol/mm/src/topology_creator.hh
- modules/mol/mm/tests/test_simulation.cc 3 additions, 3 deletionsmodules/mol/mm/tests/test_simulation.cc
- modules/mol/mm/tests/test_topology.cc 43 additions, 91 deletionsmodules/mol/mm/tests/test_topology.cc
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