util.hh

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// vi: set ts=2 noet:
//
// This file is part of the Rosetta software suite and is made available under license.
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/// @file ./src/protocols/src/fldsgn/topology/util.cc
/// @brief
/// @author Nobuyasu Koga ( nobuyasu@u.washington.edu )

#ifndef INCLUDED_protocols_fldsgn_topology_util_hh
#define INCLUDED_protocols_fldsgn_topology_util_hh

// unit header
#include <protocols/fldsgn/topology/StrandPairing.fwd.hh>
#include <protocols/fldsgn/topology/SS_Info2.fwd.hh>
#include <core/scoring/hbonds/HBondSet.fwd.hh>
// AUTO-REMOVED #include <core/scoring/dssp/Dssp.hh>
#include <protocols/forge/build/Interval.fwd.hh>

#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/vector1.hh>


namespace protocols {
namespace fldsgn {
namespace topology {


/// @brief convert StrandParingSet of dssp to fldsgn::topology::StrandPairingSet
protocols::fldsgn::topology::StrandPairingSet
calc_strand_pairing_set(
  core::pose::Pose const & pose,
  protocols::fldsgn::topology::SS_Info2_COP const ssinfo,
  core::Size minimum_pair_length = 1
);


/// @brief calc delta sasa, when a molecule is splited to 2parts.
core::Real
calc_delta_sasa(
  core::pose::Pose const & pose,
  utility::vector1< protocols::forge::build::Interval > intervals,
  core::Real const pore_radius
);


/// @brief check kink of helix, return number of loosen hydrogen
core::Size
check_kink_helix(
   core::pose::Pose const & pose,
   core::Size const begin,
   core::Size const end );


utility::vector1< core::scoring::hbonds::HBond >
check_internal_hbonds(
  core::pose::Pose const & pose,
    core::Size const begin,
    core::Size const end );

} // namespace topology
} // namespace fldsgn
} // namespace protocols

#endif