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feat: add IOProfiles in SDF reader for bad bonds
This commits makes the SDFReader aware of IOProfiles. It allows bad bond types in fault_tolerant mode (ie dative bonds from RDKit with non-standard type 9).
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- modules/io/pymod/CMakeLists.txt 1 addition, 0 deletionsmodules/io/pymod/CMakeLists.txt
- modules/io/pymod/__init__.py 43 additions, 0 deletionsmodules/io/pymod/__init__.py
- modules/io/pymod/export_sdf_io.cc 64 additions, 0 deletionsmodules/io/pymod/export_sdf_io.cc
- modules/io/pymod/wrap_io.cc 2 additions, 16 deletionsmodules/io/pymod/wrap_io.cc
- modules/io/src/mol/entity_io_sdf_handler.cc 3 additions, 2 deletionsmodules/io/src/mol/entity_io_sdf_handler.cc
- modules/io/src/mol/sdf_reader.cc 38 additions, 13 deletionsmodules/io/src/mol/sdf_reader.cc
- modules/io/src/mol/sdf_reader.hh 5 additions, 5 deletionsmodules/io/src/mol/sdf_reader.hh
- modules/io/src/mol/sdf_str.cc 2 additions, 2 deletionsmodules/io/src/mol/sdf_str.cc
- modules/io/src/mol/sdf_str.hh 2 additions, 1 deletionmodules/io/src/mol/sdf_str.hh
- modules/io/tests/test_io_sdf.py 35 additions, 1 deletionmodules/io/tests/test_io_sdf.py
- modules/io/tests/testfiles/sdf/dative_bond.sdf 18 additions, 0 deletionsmodules/io/tests/testfiles/sdf/dative_bond.sdf
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