The Gnome Chemistry Utils  0.14.5
fragment-residue.h
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1 // -*- C++ -*-
2 
3 /*
4  * GChemPaint library
5  * fragment-residue.h
6  *
7  * Copyright (C) 2008-1012 Jean Bréfort <jean.brefort@normalesup.org>
8  *
9  * This program is free software; you can redistribute it and/or
10  * modify it under the terms of the GNU General Public License as
11  * published by the Free Software Foundation; either version 3 of the
12  * License, or (at your option) any later version.
13  *
14  * This program is distributed in the hope that it will be useful,
15  * but WITHOUT ANY WARRANTY; without even the implied warranty of
16  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17  * GNU General Public License for more details.
18  *
19  * You should have received a copy of the GNU General Public License
20  * along with this program; if not, write to the Free Software
21  * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301
22  * USA
23  */
24 
25 #ifndef GCHEMPAINT_FRAGMENT_RESIDUE_H
26 #define GCHEMPAINT_FRAGMENT_RESIDUE_H
27 
28 #include "fragment-atom.h"
29 #include "residue.h"
30 #include <string>
31 
33 namespace gcp {
34 
39 {
40 public:
44  FragmentResidue ();
51  FragmentResidue (Fragment *fragment, char const *symbol);
55  virtual ~FragmentResidue ();
56 
63  xmlNodePtr Save (xmlDocPtr xml) const;
70  bool Load (xmlNodePtr node);
77  void SetResidue (Residue const *res, char const *symbol = NULL);
81  const gchar* GetSymbol () const;
82 
90 GCU_RO_PROP (std::string, Abbrev)
91 };
92 
93 } // namespace gcp
94 
95 #endif // GCHEMPAINT_FRAGMENT_RESIDUE_H
#define GCU_RO_PROP(type, member)
Definition: macros.h:117
xmlNodePtr Save(xmlDocPtr xml) const
a GChemPaint specific Residue class.
Definition: gcp/residue.h:44
Atoms groups.
Definition: fragment.h:109
virtual ~FragmentResidue()
const gchar * GetSymbol() const
bool Load(xmlNodePtr node)
void SetResidue(Residue const *res, char const *symbol=NULL)