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include
ost
conop
conop.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) 2008-2011 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_HH
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#define OST_CONOP_HH
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#include <map>
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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 "
processor.hh
"
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#include "
compound_lib.hh
"
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namespace
ost {
namespace
conop {
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typedef
enum
{
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NO_PEPTIDE_BONDS
=1,
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}
ConopFlag
;
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class
DLLEXPORT_OST_CONOP
Conopology
{
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public
:
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// singleton
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static
Conopology
& Instance();
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// returns the default compound library (if any)
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CompoundLibPtr
GetDefaultLib
()
const
{
return
lib_; }
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void
SetDefaultLib
(
const
CompoundLibPtr
& lib)
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{
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lib_ = lib;
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}
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bool
IsValidElement(
const
String
& element)
const
;
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private
:
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Conopology
();
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Conopology
(
const
Conopology
&):
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known_elements_(),
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lib_()
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{}
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Conopology& operator=(
const
Conopology&) {
return
*
this
;}
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std::set<String> known_elements_;
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CompoundLibPtr
lib_;
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};
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}}
//
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#endif
entity_handle.hh
String
std::string String
Definition:
base.hh:54
DLLEXPORT_OST_CONOP
#define DLLEXPORT_OST_CONOP
Definition:
module_config.hh:27
module_config.hh
ost::conop::CompoundLibPtr
boost::shared_ptr< CompoundLib > CompoundLibPtr
Definition:
compound_lib.hh:31
ost::conop::Conopology::GetDefaultLib
CompoundLibPtr GetDefaultLib() const
Definition:
conop.hh:41
processor.hh
ost::conop::ConopFlag
ConopFlag
Definition:
conop.hh:30
ost::conop::Conopology
Definition:
conop.hh:35
ost::conop::NO_PEPTIDE_BONDS
Definition:
conop.hh:31
ost::conop::Conopology::SetDefaultLib
void SetDefaultLib(const CompoundLibPtr &lib)
Definition:
conop.hh:42
compound_lib.hh
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