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moved and expanded numpy setpos to xcs editor
various related cleanups and optimizations: - removed superfluous sort in load_dcd - added explicit *TransformedPos() methods to complement *Pos() methods (XCSEditor, AtomHandle, AtomImpl) - changed getter/setter logic for AtomImpl Name, TransformedPos and OriginalPos to direct access, deprecated GetName and removed Get*Pos and Set*Pos
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- modules/io/src/mol/dcd_io.cc 1 addition, 5 deletionsmodules/io/src/mol/dcd_io.cc
- modules/mol/base/pymod/export_editors.cc 112 additions, 4 deletionsmodules/mol/base/pymod/export_editors.cc
- modules/mol/base/pymod/export_entity.cc 29 additions, 71 deletionsmodules/mol/base/pymod/export_entity.cc
- modules/mol/base/src/atom_base.cc 4 additions, 4 deletionsmodules/mol/base/src/atom_base.cc
- modules/mol/base/src/editor_base.cc 1 addition, 1 deletionmodules/mol/base/src/editor_base.cc
- modules/mol/base/src/impl/atom_impl.cc 6 additions, 6 deletionsmodules/mol/base/src/impl/atom_impl.cc
- modules/mol/base/src/impl/atom_impl.hh 10 additions, 10 deletionsmodules/mol/base/src/impl/atom_impl.hh
- modules/mol/base/src/impl/chain_impl.cc 4 additions, 4 deletionsmodules/mol/base/src/impl/chain_impl.cc
- modules/mol/base/src/impl/connector_impl.cc 4 additions, 4 deletionsmodules/mol/base/src/impl/connector_impl.cc
- modules/mol/base/src/impl/dihedral.cc 2 additions, 2 deletionsmodules/mol/base/src/impl/dihedral.cc
- modules/mol/base/src/impl/entity_impl.cc 13 additions, 18 deletionsmodules/mol/base/src/impl/entity_impl.cc
- modules/mol/base/src/impl/residue_impl.cc 28 additions, 21 deletionsmodules/mol/base/src/impl/residue_impl.cc
- modules/mol/base/src/query_state.cc 5 additions, 5 deletionsmodules/mol/base/src/query_state.cc
- modules/mol/base/src/xcs_editor.cc 95 additions, 11 deletionsmodules/mol/base/src/xcs_editor.cc
- modules/mol/base/src/xcs_editor.hh 38 additions, 1 deletionmodules/mol/base/src/xcs_editor.hh
- modules/mol/base/tests/test_numpy.py 12 additions, 5 deletionsmodules/mol/base/tests/test_numpy.py
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