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build-2.6
stage
include
ost
conop
ring_finder.hh
Go to the documentation of this file.
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//------------------------------------------------------------------------------
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// This file is part of the OpenStructure project <www.openstructure.org>
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//
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// Copyright (C) 2008-2020 by the OpenStructure authors
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//
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// This library is free software; you can redistribute it and/or modify it under
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// the terms of the GNU Lesser General Public License as published by the Free
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// Software Foundation; either version 3.0 of the License, or (at your option)
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// any later version.
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// This library is distributed in the hope that it will be useful, but WITHOUT
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// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
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// details.
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//
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// You should have received a copy of the GNU Lesser General Public License
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// along with this library; if not, write to the Free Software Foundation, Inc.,
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// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
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//------------------------------------------------------------------------------
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#ifndef OST_CONOP_RING_FINDER_HH
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#define OST_CONOP_RING_FINDER_HH
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/*
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Author: Tobias Schmidt
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*/
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#include <
ost/conop/module_config.hh
>
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#include <
ost/mol/entity_handle.hh
>
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#include <
ost/mol/entity_view.hh
>
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#include <map>
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namespace
ost {
namespace
conop {
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class
DLLEXPORT_OST_CONOP
RingFinder
{
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public
:
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RingFinder
(
mol::EntityHandle
&eh);
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public
:
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void
PerceiveRings();
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mol::EntityView
GetRings();
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int
GetRingAtomCount();
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int
GetRingBondCount();
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bool
RingsPerceived();
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private
:
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int
VisitNext(
mol::AtomHandle
&curr,
mol::AtomHandle
&prev,
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std::map<long int,bool> &ring_closings);
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mol::EntityHandle
ent_;
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mol::EntityView
ring_view_;
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bool
rings_perceived_;
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};
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}}
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#endif
entity_handle.hh
entity_view.hh
ost::mol::AtomHandle
Handle to atom datatype.
Definition:
atom_handle.hh:37
DLLEXPORT_OST_CONOP
#define DLLEXPORT_OST_CONOP
Definition:
module_config.hh:27
ost::mol::EntityHandle
Protein or molecule.
Definition:
entity_handle.hh:54
module_config.hh
ost::conop::RingFinder
Class for finding rings in an entity.
Definition:
ring_finder.hh:40
ost::mol::EntityView
definition of EntityView
Definition:
entity_view.hh:86
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