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ring_finder.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
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12 // FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
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18 //------------------------------------------------------------------------------
19 #ifndef OST_CONOP_RING_FINDER_HH
20 #define OST_CONOP_RING_FINDER_HH
21 
22 /*
23  Author: Tobias Schmidt
24  */
25 
27 #include <ost/mol/entity_handle.hh>
28 #include <ost/mol/entity_view.hh>
29 #include <map>
30 
31 namespace ost { namespace conop {
32 
41 public:
43 public:
44 
52  void PerceiveRings();
53 
56  mol::EntityView GetRings();
57 
59  int GetRingAtomCount();
60 
62  int GetRingBondCount();
63 
65  bool RingsPerceived();
66 
67 private:
68  int VisitNext(mol::AtomHandle &curr, mol::AtomHandle &prev,
69  std::map<long int,bool> &ring_closings);
70  mol::EntityHandle ent_;
71  mol::EntityView ring_view_;
72  bool rings_perceived_;
73 };
74 
75 }}
76 
77 #endif
Handle to atom datatype.
Definition: atom_handle.hh:37
#define DLLEXPORT_OST_CONOP
Protein or molecule.
Class for finding rings in an entity.
Definition: ring_finder.hh:40
definition of EntityView
Definition: entity_view.hh:86