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make Particle class agnostic of underlying energy function
This commit introduces breaking changes!
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- doc/tests/scripts/sidechain_steps.py 1 addition, 1 deletiondoc/tests/scripts/sidechain_steps.py
- modelling/pymod/_reconstruct_sidechains.py 21 additions, 12 deletionsmodelling/pymod/_reconstruct_sidechains.py
- modelling/src/sidechain_env_listener.hh 2 additions, 2 deletionsmodelling/src/sidechain_env_listener.hh
- modelling/src/sidechain_reconstructor.cc 12 additions, 5 deletionsmodelling/src/sidechain_reconstructor.cc
- sidechain/doc/rotamer.rst 69 additions, 62 deletionssidechain/doc/rotamer.rst
- sidechain/doc/rotamer_constructor.rst 2 additions, 2 deletionssidechain/doc/rotamer_constructor.rst
- sidechain/pymod/__init__.py 1 addition, 2 deletionssidechain/pymod/__init__.py
- sidechain/pymod/export_particle.cc 44 additions, 23 deletionssidechain/pymod/export_particle.cc
- sidechain/pymod/export_rotamer_constructor.cc 24 additions, 24 deletionssidechain/pymod/export_rotamer_constructor.cc
- sidechain/src/CMakeLists.txt 7 additions, 3 deletionssidechain/src/CMakeLists.txt
- sidechain/src/frame.cc 2 additions, 2 deletionssidechain/src/frame.cc
- sidechain/src/frame.hh 3 additions, 3 deletionssidechain/src/frame.hh
- sidechain/src/particle.hh 83 additions, 57 deletionssidechain/src/particle.hh
- sidechain/src/particle_scoring.cc 97 additions, 0 deletionssidechain/src/particle_scoring.cc
- sidechain/src/particle_scoring.hh 60 additions, 0 deletionssidechain/src/particle_scoring.hh
- sidechain/src/particle_scoring_base.hh 53 additions, 0 deletionssidechain/src/particle_scoring_base.hh
- sidechain/src/rotamer_constructor.cc 2 additions, 2 deletionssidechain/src/rotamer_constructor.cc
- sidechain/src/rotamer_constructor.hh 0 additions, 3 deletionssidechain/src/rotamer_constructor.hh
- sidechain/src/rotamer_group.cc 49 additions, 53 deletionssidechain/src/rotamer_group.cc
- sidechain/src/rotamer_group.hh 3 additions, 2 deletionssidechain/src/rotamer_group.hh
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