librdkit-dev 201503-3 / usr / include / rdkit / RDBoost / Wrap.h

//
// 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