mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
2b4202867e
* - added gen_rdkit_stubs Python module to generate rdkit-stubs - added patch_rdkit_docstrings Python module to patch existing C++ sources to fix docstrings missing self parameter and add named parameters taken from C++ signatures where possible - added rdkit-stubs/CMakeLists.txt to build rdkit-stubs as part of the RDKit build - added an option to CMakeLists.txt to enable building rdkit-stubs as part of the RDKit build (defaults to OFF) * fixed CMakeLists.txt, rdkit-stubs/CMakeLists.txt and a doctest * - added missing cmp_func parameter - fixed case with overloads with optional parameters - do not trim params if expected_param_count == -1 - add dummy parameter names if we could not find any - keep into account member functions when making up parameter names - address __init__ and make_constructor __init__ functions - fix incorrectly assigned staticmethods * patched sources * address residual few remarks --------- Co-authored-by: ptosco <paolo.tosco@novartis.com>
67 lines
3.2 KiB
Python
67 lines
3.2 KiB
Python
#!/usr/bin/env python
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"""
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patch_rdkit_docstrings is a runnable Python module.
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It will scan RDKit sources searching for docstrings
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that lack parameter definitions, or member functions that
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do not have an explicit "self" parameter, and will patch
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the C++ sources accordingly.
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Example usage:
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$ cd $RDBASE
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$ CLANG_INCLUDE_PATH=/build/llvm-project/libcxx/include \
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CLANG_PYTHON_BINDINGS_PATH=/build/llvm-project/clang/bindings/python \
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QT_INCLUDE_DIRS=$CONDA_PREFIX/include/qt:$CONDA_PREFIX/include/qt/QtGui \
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EIGEN3_INCLUDE_DIR=/usr/prog/Eigen/3.3.9-GCCcore-11.2.0/include \
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python -m Scripts.patch_rdkit_docstrings
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"""
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import sys
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import argparse
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from . import FixSignatures
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from ..gen_rdkit_stubs import purge_rdkit_source_dir_from_sys_path, find_rdkit_include_path, RDKIT_MODULE_NAME
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def parse_args():
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"""Parse command line arguments."""
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parser = argparse.ArgumentParser()
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parser.add_argument("--cpp-source-path",
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help="path where RDKit C++ sources are located (defaults to $RDBASE, or to cwd if RDBASE is not set)",
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default=FixSignatures.cpp_source_path)
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parser.add_argument("--stubs-path",
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help=f"path to the {RDKIT_MODULE_NAME}-stubs directory (defaults to ./{RDKIT_MODULE_NAME})",
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default=FixSignatures.rdkit_stubs_path)
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parser.add_argument("--concurrency",
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help=f"max number of CPUs to be used (defaults to {FixSignatures.concurrency})",
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default=FixSignatures.concurrency)
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parser.add_argument("--include-path",
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help=f"main clang include path (defaults to {FixSignatures.include_path})",
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default=FixSignatures.include_path)
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parser.add_argument("--python-include-path",
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help=f"Python clang include path (defaults to {FixSignatures.python_include_path})",
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default=FixSignatures.python_include_path)
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parser.add_argument("--rdkit-include-path",
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help=f"RDKit include path (defaults to {FixSignatures.rdkit_include_path})",
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default=find_rdkit_include_path())
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parser.add_argument("--clang-flags",
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help=f"flags to be passed to clang (defaults to {FixSignatures.clang_flags})",
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default=FixSignatures.clang_flags)
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parser.add_argument("--user-clang-flags",
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help=f"user-defined flags to be passed to clang (defaults to {FixSignatures.user_clang_flags})",
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default=FixSignatures.clang_flags)
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parser.add_argument("--log-level",
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help=f"logging level (defaults to {FixSignatures.log_level})",
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default=FixSignatures.log_level)
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parser.add_argument("--clean", action="store_true", help="force removing all RDKDOCORIG files")
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args = parser.parse_args()
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return args
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if __name__ == "__main__":
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args = parse_args()
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purge_rdkit_source_dir_from_sys_path()
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if args.rdkit_include_path is None:
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print(f"Failed to find RDKit include path. Please set it through the --rdkit-include-path switch.", file=sys.stderr)
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sys.exit(1)
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fix_signatures = FixSignatures(args)
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