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Marco Biasini authoredMarco Biasini authored
sec_structure_segments.hh 3.00 KiB
//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2011 by the OpenStructure authors
//
// This library is free software; you can redistribute it and/or modify it under
// the terms of the GNU Lesser General Public License as published by the Free
// Software Foundation; either version 3.0 of the License, or (at your option)
// any later version.
// This library is distributed in the hope that it will be useful, but WITHOUT
// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
// details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library; if not, write to the Free Software Foundation, Inc.,
// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
//------------------------------------------------------------------------------
#ifndef OST_MOL_ALG_SEC_STRUCTURE_SEGMENTS_HH
#define OST_MOL_ALG_SEC_STRUCTURE_SEGMENTS_HH
/*
Author: Marco Biasini
*/
#include <ost/mol/entity_handle.hh>
#include <ost/mol/alg/module_config.hh>
namespace ost { namespace mol { namespace alg {
/// \brief a consecutive secondary structure element
struct DLLEXPORT_OST_MOL_ALG SecStructureSegment {
SecStructureSegment(int f, int l, SecStructure s):
first(f), last(l), ss_type(s)
{ }
SecStructureSegment():
first(0), last(0), ss_type(SecStructure::COIL)
{ }
/// \brief index of first residue part of the segment
int first;
/// \brief index of last residue part of the segment
int last;
/// \brief secondandary structure type of the segment
SecStructure ss_type;
};
typedef std::vector<SecStructureSegment> SecStructureSegments;
/// \name extract secondary structure segments
///
/// These functions can be used to get a list of consecutive secondary structure
/// elements, i.e. all helices of a chain or all extended strands.
/// \relates mol::SecStructure
//@{
/// \brief get list of helical segments in chain handle
SecStructureSegments DLLEXPORT_OST_MOL_ALG
ExtractHelicalSegments(const ChainHandle& chain);
/// \brief get list of helical segments in chain view
SecStructureSegments DLLEXPORT_OST_MOL_ALG
ExtractHelicalSegments(const ChainView& chain);
/// \brief get list of extended segments in chain handle
SecStructureSegments DLLEXPORT_OST_MOL_ALG
ExtractExtendedSegments(const ChainHandle& chain);
/// \brief get list of extended segments in chain view
SecStructureSegments DLLEXPORT_OST_MOL_ALG
ExtractExtendedSegments(const ChainView& chain);
/// \brief get list of all secondary structure segments in chain handle
SecStructureSegments DLLEXPORT_OST_MOL_ALG
ExtractSecStructureSegments(const ChainHandle& chain);
/// \brief get list of all secondary structure segments in chain view
SecStructureSegments DLLEXPORT_OST_MOL_ALG
ExtractSecStructureSegments(const ChainView& chain);
//@}
}}}
#endif