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>
30 lines
908 B
C++
30 lines
908 B
C++
// $Id$
|
|
//
|
|
// Copyright (C) 2003-2006 Rational Discovery LLC
|
|
//
|
|
// @@ All Rights Reserved @@
|
|
// This file is part of the RDKit.
|
|
// The contents are covered by the terms of the BSD license
|
|
// which is included in the file license.txt, found at the root
|
|
// of the RDKit source tree.
|
|
//
|
|
#include <RDBoost/python.h>
|
|
#include <DataStructs/BitVects.h>
|
|
|
|
#include <GraphMol/FragCatalog/FragFPGenerator.h>
|
|
|
|
namespace python = boost::python;
|
|
namespace RDKit {
|
|
struct fragFPgen_wrapper {
|
|
static void wrap() {
|
|
python::class_<FragFPGenerator>("FragFPGenerator",
|
|
python::init<>(python::args("self")))
|
|
.def("GetFPForMol", &FragFPGenerator::getFPForMol,
|
|
python::return_value_policy<python::manage_new_object>(),
|
|
python::args("self", "mol", "fcat"));
|
|
};
|
|
};
|
|
} // namespace RDKit
|
|
|
|
void wrap_fragFPgen() { RDKit::fragFPgen_wrapper::wrap(); }
|