#!/usr/bin/env python """ patch_rdkit_docstrings is a runnable Python module. It will scan RDKit sources searching for docstrings that lack parameter definitions, or member functions that do not have an explicit "self" parameter, and will patch the C++ sources accordingly. Example usage: $ cd $RDBASE $ CLANG_INCLUDE_PATH=/build/llvm-project/libcxx/include \ CLANG_PYTHON_BINDINGS_PATH=/build/llvm-project/clang/bindings/python \ QT_INCLUDE_DIRS=$CONDA_PREFIX/include/qt:$CONDA_PREFIX/include/qt/QtGui \ EIGEN3_INCLUDE_DIR=/usr/prog/Eigen/3.3.9-GCCcore-11.2.0/include \ python -m Scripts.patch_rdkit_docstrings """ import sys import argparse from . import FixSignatures from ..gen_rdkit_stubs import purge_rdkit_source_dir_from_sys_path, find_rdkit_include_path, RDKIT_MODULE_NAME def parse_args(): """Parse command line arguments.""" parser = argparse.ArgumentParser() parser.add_argument("--cpp-source-path", help="path where RDKit C++ sources are located (defaults to $RDBASE, or to cwd if RDBASE is not set)", default=FixSignatures.cpp_source_path) parser.add_argument("--stubs-path", help=f"path to the {RDKIT_MODULE_NAME}-stubs directory (defaults to ./{RDKIT_MODULE_NAME})", default=FixSignatures.rdkit_stubs_path) parser.add_argument("--concurrency", help=f"max number of CPUs to be used (defaults to {FixSignatures.concurrency})", default=FixSignatures.concurrency) parser.add_argument("--include-path", help=f"main clang include path (defaults to {FixSignatures.include_path})", default=FixSignatures.include_path) parser.add_argument("--python-include-path", help=f"Python clang include path (defaults to {FixSignatures.python_include_path})", default=FixSignatures.python_include_path) parser.add_argument("--rdkit-include-path", help=f"RDKit include path (defaults to {FixSignatures.rdkit_include_path})", default=find_rdkit_include_path()) parser.add_argument("--clang-flags", help=f"flags to be passed to clang (defaults to {FixSignatures.clang_flags})", default=FixSignatures.clang_flags) parser.add_argument("--user-clang-flags", help=f"user-defined flags to be passed to clang (defaults to {FixSignatures.user_clang_flags})", default=FixSignatures.clang_flags) parser.add_argument("--log-level", help=f"logging level (defaults to {FixSignatures.log_level})", default=FixSignatures.log_level) parser.add_argument("--clean", action="store_true", help="force removing all RDKDOCORIG files") args = parser.parse_args() return args if __name__ == "__main__": args = parse_args() purge_rdkit_source_dir_from_sys_path() if args.rdkit_include_path is None: print(f"Failed to find RDKit include path. Please set it through the --rdkit-include-path switch.", file=sys.stderr) sys.exit(1) fix_signatures = FixSignatures(args)