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delegate the internal energy calculation to the rotamer constructors
The idea is to decouple the rotamer groups from this burden if there are different methodologies. They therefore only have a setter for the internal energy.
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- sidechain/pymod/_reconstruct_sidechains.py 0 additions, 1 deletionsidechain/pymod/_reconstruct_sidechains.py
- sidechain/pymod/export_rotamer.cc 19 additions, 9 deletionssidechain/pymod/export_rotamer.cc
- sidechain/pymod/export_scwrl_rotamer_constructor.cc 12 additions, 0 deletionssidechain/pymod/export_scwrl_rotamer_constructor.cc
- sidechain/src/rotamer.cc 0 additions, 9 deletionssidechain/src/rotamer.cc
- sidechain/src/rotamer.hh 16 additions, 30 deletionssidechain/src/rotamer.hh
- sidechain/src/rotamer_group.cc 0 additions, 18 deletionssidechain/src/rotamer_group.cc
- sidechain/src/rotamer_group.hh 0 additions, 4 deletionssidechain/src/rotamer_group.hh
- sidechain/src/scwrl_rotamer_constructor.cc 24 additions, 0 deletionssidechain/src/scwrl_rotamer_constructor.cc
- sidechain/src/scwrl_rotamer_constructor.hh 5 additions, 0 deletionssidechain/src/scwrl_rotamer_constructor.hh
- sidechain/src/sidechain_env_listener.hh 2 additions, 2 deletionssidechain/src/sidechain_env_listener.hh
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