OpenStructure
conop.hh
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1 //------------------------------------------------------------------------------
2 // This file is part of the OpenStructure project <www.openstructure.org>
3 //
4 // Copyright (C) 2008-2020 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 "processor.hh"
26 #include "compound_lib.hh"
27 namespace ost { namespace conop {
28 
29 
30 typedef enum {
32 } ConopFlag;
33 
34 
36 public:
37  // singleton
38  static Conopology& Instance();
39 
40  // returns the default compound library (if any)
41  CompoundLibPtr GetDefaultLib() const { return lib_; }
42  void SetDefaultLib(const CompoundLibPtr& lib)
43  {
44  lib_ = lib;
45  }
46 
47  bool IsValidElement(const String& element) const;
48 
49 private:
50  Conopology();
51  Conopology(const Conopology&):
52  known_elements_(),
53  lib_()
54  {}
55  Conopology& operator=(const Conopology&) {return *this;}
56 
57  std::set<String> known_elements_;
58  CompoundLibPtr lib_;
59 };
60 
61 }} //
62 
63 #endif
static Conopology & Instance()
CompoundLibPtr GetDefaultLib() const
Definition: conop.hh:41
void SetDefaultLib(const CompoundLibPtr &lib)
Definition: conop.hh:42
bool IsValidElement(const String &element) const
#define DLLEXPORT_OST_CONOP
std::string String
Definition: base.hh:54
@ NO_PEPTIDE_BONDS
Definition: conop.hh:31
boost::shared_ptr< CompoundLib > CompoundLibPtr
Definition: compound_lib.hh:32
Definition: base.dox:1