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https://github.com/rdkit/rdkit.git
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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>
29 lines
902 B
C++
29 lines
902 B
C++
// $Id$
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//
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// Copyright (C) 2003-2006 Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include <RDBoost/python.h>
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#include <DataStructs/BitVects.h>
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#include <GraphMol/RDKitBase.h>
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#include <GraphMol/FragCatalog/FragCatGenerator.h>
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namespace python = boost::python;
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namespace RDKit {
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struct fragcatgen_wrapper {
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static void wrap() {
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python::class_<FragCatGenerator>("FragCatGenerator",
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python::init<>(python::args("self")))
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.def("AddFragsFromMol", &FragCatGenerator::addFragsFromMol,
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python::args("self", "mol", "fcat"));
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};
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}; // end of struct
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} // namespace RDKit
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void wrap_fragcatgen() { RDKit::fragcatgen_wrapper::wrap(); }
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