// $Id$
//
//  Copyright (C) 2003-2011 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.
//
#define NO_IMPORT_ARRAY
#include <RDBoost/python.h>
#include <string>

// ours
#include <GraphMol/FileParsers/MolWriters.h>
#include <GraphMol/RDKitBase.h>
#include "rdchem.h"
#include <RDBoost/PySequenceHolder.h>
#include <RDBoost/python_streambuf.h>

namespace python = boost::python;

namespace RDKit {
using boost_adaptbx::python::streambuf;
SmilesWriter *getSmilesWriter(python::object &fileobj,
                              std::string delimiter = " ",
                              std::string nameHeader = "Name",
                              bool includeHeader = true,
                              bool isomericSmiles = true,
                              bool kekuleSmiles = false) {
  // FIX: minor leak here
  auto *sb = new streambuf(fileobj);
  auto *ost = new streambuf::ostream(*sb);
  return new SmilesWriter(ost, delimiter, nameHeader, includeHeader, true,
                          isomericSmiles, kekuleSmiles);
}

void SetSmiWriterProps(SmilesWriter &writer, python::object props) {
  // convert the python list to a STR_VECT
  STR_VECT propNames;

  PySequenceHolder<std::string> seq(props);
  for (unsigned int i = 0; i < seq.size(); i++) {
    propNames.push_back(seq[i]);
  }
  writer.setProps(propNames);
}
std::string swDocStr =
    "Constructor.\n\n"
    "   ARGUMENTS:\n\n"
    "     - fileName: name of the output file. ('-' to write to stdout)\n"
    "     - delimiter: (optional) delimiter to be used to separate entries on "
    "each line.\n"
    "     - nameHeader: (optional) text to use for the name column in the "
    "header line.\n"
    "                   If this is blank, names will not be included in the "
    "output.\n"
    "     - includeHeader: (optional) toggles inclusion of a header line in "
    "the output file.\n"
    "     - isomericSmiles: (optional) toggles output of isomeric smiles "
    "(includes stereochem information).\n"
    "     - kekuleSmiles: (optional) toggles output of kekule smiles (no "
    "aromatic bonds for molecules that have been kekulized).\n\n";
struct smiwriter_wrap {
  static void wrap() {
    python::class_<SmilesWriter>("SmilesWriter",
                                 "A class for writing molecules to text files.",
                                 python::no_init)
        .def("__init__",
             python::make_constructor(
                 &getSmilesWriter, python::default_call_policies(),
                 (python::arg("fileObj"), python::arg("delimiter") = " ",
                  python::arg("nameHeader") = "Name",
                  python::arg("includeHeader") = true,
                  python::arg("isomericSmiles") = true,
                  python::arg("kekuleSmiles") = false)))
        .def(python::init<std::string, std::string, std::string, bool, bool,
                          bool>(
            (python::arg("fileName"), python::arg("delimiter") = " ",
             python::arg("nameHeader") = "Name",
             python::arg("includeHeader") = true,
             python::arg("isomericSmiles") = true,
             python::arg("kekuleSmiles") = false),
            swDocStr.c_str()))
        .def("SetProps", SetSmiWriterProps,
             "Sets the properties to be written to the output file\n\n"
             "  ARGUMENTS:\n\n"
             "    - props: a list or tuple of property names\n\n")
        .def("write", &SmilesWriter::write,
             (python::arg("self"), python::arg("mol"),
              python::arg("confId") = -1),
             "Writes a molecule to the output file.\n\n"
             "  ARGUMENTS:\n\n"
             "    - mol: the Mol to be written\n"
             "    - confId: (optional) ignored \n\n")
        .def("flush", &SmilesWriter::flush,
             "Flushes the output file (forces the disk file to be "
             "updated).\n\n")
        .def("close", &SmilesWriter::close,
             "Flushes the output file and closes it. The Writer cannot be used "
             "after this.\n\n")
        .def("NumMols", &SmilesWriter::numMols,
             "Returns the number of molecules written so far.\n\n");
  };
};
}

void wrap_smiwriter() { RDKit::smiwriter_wrap::wrap(); }