1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
|
/****************************************************************************
* Copyright (C) 2009-2015 EPAM Systems
*
* This file is part of Indigo toolkit.
*
* This file may be distributed and/or modified under the terms of the
* GNU General Public License version 3 as published by the Free Software
* Foundation and appearing in the file LICENSE.GPL included in the
* packaging of this file.
*
* This file is provided AS IS with NO WARRANTY OF ANY KIND, INCLUDING THE
* WARRANTY OF DESIGN, MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE.
***************************************************************************/
#ifndef __canonical_rsmiles_saver__
#define __canonical_rsmiles_saver__
#include "reaction/rsmiles_saver.h"
#include "base_cpp/exception.h"
namespace indigo {
class Output;
class BaseReaction;
class CanonicalSmilesSaver;
class Reaction;
class DLLEXPORT CanonicalRSmilesSaver : public RSmilesSaver
{
public:
explicit CanonicalRSmilesSaver (Output &output);
~CanonicalRSmilesSaver ();
void saveReaction(Reaction &react);
DECL_ERROR;
protected:
void _saveReaction();
void _writeMolecule(int i, CanonicalSmilesSaver &saver);
};
}
#endif
|
