// FILETRANS.H : Handle import/export through use of the Babel external lib.

// Copyright (C) 2000 Geoffrey Hutchison.

// This package is free software; you can redistribute it and/or modify
// it under the terms of the GNU General Public License as published by
// the Free Software Foundation; either version 2 of the License, or
// (at your option) any later version.

// This package is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
// GNU General Public License for more details.

// You should have received a copy of the GNU General Public License
// along with this package; if not, write to the Free Software
// Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA

/*################################################################################################*/

#ifndef FILETRANS_H
#define FILETRANS_H

#include "ghemicalconfig2.h"	// ENABLE_OPENBABEL

#ifdef ENABLE_OPENBABEL

/*################################################################################################*/

#include "project.h"

// OpenBabel includes...
// OpenBabel includes...
// OpenBabel includes...

#include <openbabel/mol.h>
#include <openbabel/obconversion.h>
using namespace OpenBabel;

#include <string>
#include <vector>
#include <iostream>
#include <fstream>
using namespace std;

/*################################################################################################*/

typedef struct
{
	atom * atmr;
	OBAtom * oba;
} atom_name_tag;

typedef struct
{
	string description;
	OBFormat * format;
} format_record;

class file_trans
{
	private:
	
	vector<format_record> imports;
	vector<format_record> exports;
	
	int name_tag_count;
	atom_name_tag * tagtab;
	project * prj; OBMol * obm;
	iter_al itb; iter_al ite;
	
	public:
	
	file_trans();
	virtual ~file_trans();
	
	// these expect to be passed the filename to pick the file format
	int Import(const char *, istream &, ostream &);
	int Export(const char *, istream &, ostream &);
	
	// these check whether the format picked by the filename are valid
	bool CanImport(const char *);
	bool CanExport(const char *);
	
	// Get a listing of the number of valid import/export types
	unsigned int NumImports() { return imports.size(); }
	unsigned int NumExports() { return exports.size(); }
	
	// Get the description associated with this type
	string GetExportDescription(unsigned int);
	string GetImportDescription(unsigned int);
	
	// These take the unsigned int as a format specifier
	int Import(const char *, unsigned int, istream &, ostream &);
	int Export(const char *, unsigned int, istream &, ostream &);
	
	// some Babel compatibility methods:
	// ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
	
	/// This takes a pair of atom list iterators, and copies all atoms/bonds in this range to OBMol.
	OBMol * Copy(project *, iter_al, iter_al);
	
	/// This will copy a molecule (defined by the index) to OBMol.
	OBMol * CopyMolecule(project *, int);
	
	/// This will copy everything in this project to OBMol.
	OBMol * CopyAll(project *);
	
	/// This will syncronize the project and the OBMol.
	void Synchronize(void);
};

/*################################################################################################*/

#endif	// ENABLE_OPENBABEL
#endif	// FILETRANS_H

// eof