/usr/include/rdkit/RDBoost/Wrap.h is in librdkit-dev 201503-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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// Copyright (c) 2003-2008 greg Landrum and 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.
//
#ifndef _RD_WRAP_H_
#define _RD_WRAP_H_
//
// Generic Wrapper utility functionality
//
#include <boost/python.hpp>
#include <boost/python/stl_iterator.hpp>
// code for windows DLL handling taken from
// http://www.boost.org/more/separate_compilation.html
#include <boost/config.hpp>
#ifdef BOOST_HAS_DECLSPEC // defined in config system
// we need to import/export our code only if the user has specifically
// asked for it by defining either BOOST_ALL_DYN_LINK if they want all boost
// libraries to be dynamically linked, or RDKIT_WRAP_DYN_LINK
// if they want just this one to be dynamically liked:
#if defined(BOOST_ALL_DYN_LINK) || defined(RDKIT_WRAP_DYN_LINK)
// export if this is our own source, otherwise import:
#ifdef RDKIT_WRAP_SOURCE
# define RDKIT_WRAP_DECL __declspec(dllexport)
#else
# define RDKIT_WRAP_DECL __declspec(dllimport)
#endif // RDKIT_WRAP_SOURCE
#endif // DYN_LINK
#endif // BOOST_HAS_DECLSPEC
//
// if RDKIT_WRAP_DECL isn't defined yet define it now:
#ifndef RDKIT_WRAP_DECL
#define RDKIT_WRAP_DECL
#endif
#include <boost/python/suite/indexing/vector_indexing_suite.hpp>
#include <boost/cstdint.hpp>
#include "list_indexing_suite.hpp"
#include <vector>
#include <list>
#include <iostream>
#include <RDGeneral/Exceptions.h>
namespace python = boost::python;
RDKIT_WRAP_DECL void
throw_index_error(int key); //!< construct and throw an \c IndexError
RDKIT_WRAP_DECL void
throw_value_error(const std::string err); //!< construct and throw a \c ValueError
RDKIT_WRAP_DECL void
translate_index_error(IndexErrorException const&e);
RDKIT_WRAP_DECL void
translate_value_error(ValueErrorException const&e);
//! \brief Registers a templated converter for returning \c vectors of a
//! particular type.
//! This should be used instead of calling \c vector_to_python<T>()
//! directly because this will catch the appropriate exception if
//! the specified converter has already been registered.
template <typename T>
void RegisterVectorConverter(bool noproxy=false){
std::string name = "_vect";
name += typeid(T).name();
if(noproxy){
python::class_< std::vector<T> >(name.c_str())
.def(python::vector_indexing_suite< std::vector<T>, 1>());
} else {
python::class_< std::vector<T> >(name.c_str())
.def(python::vector_indexing_suite< std::vector<T> >());
}
}
//! \brief Registers a templated converter for returning \c lists of a
//! particular type.
//! This should be used instead of calling \c list_to_python<T>()
//! directly because this will catch the appropriate exception if
//! the specified converter has already been registered.
template <typename T>
void RegisterListConverter(bool noproxy=false){
std::string name = "_list";
name += typeid(T).name();
if(noproxy){
python::class_< std::list<T> >(name.c_str())
.def(python::list_indexing_suite< std::list<T>, 1 >());
} else {
python::class_< std::list<T> >(name.c_str())
.def(python::list_indexing_suite< std::list<T> >());
}
}
template <typename T>
std::vector<T> *pythonObjectToVect(const python::object &obj,T maxV){
std::vector<T> *res=0;
if(obj){
res=new std::vector<T>;
python::stl_input_iterator<T> beg(obj),end;
while(beg!=end){
T v=*beg;
if(v>=maxV){
throw_value_error("list element larger than allowed value");
}
res->push_back(v);
++beg;
}
}
return res;
}
template <typename T>
std::vector<T> *pythonObjectToVect(const python::object &obj){
std::vector<T> *res=0;
if(obj){
res=new std::vector<T>;
unsigned int nFrom=python::extract<unsigned int>(obj.attr("__len__")());
for(unsigned int i=0;i<nFrom;++i){
T v=python::extract<T>(obj[i]);
res->push_back(v);
}
}
return res;
}
class NOGIL
{
public:
inline NOGIL()
{
m_thread_state = PyEval_SaveThread();
}
inline ~NOGIL()
{
PyEval_RestoreThread(m_thread_state);
m_thread_state = NULL;
}
private:
PyThreadState * m_thread_state;
};
// -------------------
// This block was adapted from this mailing list post by Matthew Scouten:
// https://mail.python.org/pipermail/cplusplus-sig/2009-May/014505.html
// Matthew credits Hans Meine in his post.
template<class T>
inline PyObject * managingPyObject(T *p)
{
return typename python::manage_new_object::apply<T *>::type()(p);
}
template<class Copyable>
python::object
generic__copy__(python::object copyable)
{
Copyable *newCopyable(new Copyable(python::extract<const Copyable
&>(copyable)));
python::object
result(python::detail::new_reference(managingPyObject(newCopyable)));
python::extract<python::dict>(result.attr("__dict__"))().update(
copyable.attr("__dict__"));
return result;
}
template<class Copyable>
python::object
generic__deepcopy__(python::object copyable, python::dict memo)
{
python::object copyMod = python::import("copy");
python::object deepcopy = copyMod.attr("deepcopy");
Copyable *newCopyable(new Copyable(python::extract<const Copyable
&>(copyable)));
python::object
result(python::detail::new_reference(managingPyObject(newCopyable)));
// HACK: copyableId shall be the same as the result of id(copyable) in Python -
// please tell me that there is a better way! (and which ;-p)
size_t copyableId = (size_t)(copyable.ptr());
memo[copyableId] = result;
python::extract<python::dict>(result.attr("__dict__"))().update(
deepcopy(python::extract<python::dict>(copyable.attr("__dict__"))(),
memo));
return result;
}
// -------------------
#endif
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