OpenStructure
conop.hh
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1 //------------------------------------------------------------------------------
2 // This file is part of the OpenStructure project <www.openstructure.org>
3 //
4 // Copyright (C) 2008-2011 by the OpenStructure authors
5 //
6 // This library is free software; you can redistribute it and/or modify it under
7 // the terms of the GNU Lesser General Public License as published by the Free
8 // Software Foundation; either version 3.0 of the License, or (at your option)
9 // any later version.
10 // This library is distributed in the hope that it will be useful, but WITHOUT
11 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
12 // FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
13 // details.
14 //
15 // You should have received a copy of the GNU Lesser General Public License
16 // along with this library; if not, write to the Free Software Foundation, Inc.,
17 // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
18 //------------------------------------------------------------------------------
19 #ifndef OST_CONOP_HH
20 #define OST_CONOP_HH
21 
22 #include <map>
24 #include <ost/mol/entity_handle.hh>
25 #include "builder_fw.hh"
26 
27 namespace ost { namespace conop {
28 
29 
30 typedef enum {
32 } ConopFlag;
33 
34 
36  typedef std::map<String,BuilderP> BuilderMap;
37 
38 public:
39  // singleton
40  static Conopology& Instance();
41 
42  // retrieve a builder by name
43  BuilderP GetBuilder(const String& name="DEFAULT");
44 
45  /*
46  convenience function, connect all atoms with given coordinates,
47  such as after coordinate file import, based on a given builder
48 
49  does this need to live within Conopology ?
50  */
51  void ConnectAll(const BuilderP& b, mol::EntityHandle eh,
52  int flags=0);
53 
54  void RegisterBuilder(const BuilderP& b, const String& name);
55  void SetDefaultBuilder(const String& default_name);
56 
57  bool IsValidElement(const String& element) const;
58 private:
59  Conopology();
60  Conopology(const Conopology&) {}
61  Conopology& operator=(const Conopology&) {return *this;}
62 
63  BuilderMap builder_map_;
64  std::set<String> known_elements_;
65 };
66 
67 }} //
68 
69 #endif