types.hh

Go to the documentation of this file.

// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file   core/scoring/packstat/types.hh
///
/// @brief
/// @author will sheffler


#ifndef INCLUDED_core_scoring_packstat_types_hh
#define INCLUDED_core_scoring_packstat_types_hh

#include "numeric/xyzVector.hh"
// AUTO-REMOVED #include "utility/vector1.hh"

#include <core/types.hh>
#include <core/id/AtomID.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <utility/pointer/owning_ptr.hh>

#include <utility/vector1_bool.hh>


namespace core {
namespace scoring {
namespace packstat {

using core::Real;

typedef double PackstatReal;

typedef utility::vector1<PackstatReal> Floats;
typedef Floats::iterator FloatIter;
typedef Floats::const_iterator FloatCIter;

typedef utility::vector1<core::Real> Reals;
typedef Reals::iterator RealIter;
typedef Reals::const_iterator RealCIter;

typedef numeric::xyzVector<PackstatReal> XYZ;
typedef utility::vector1<XYZ> XYZs;
typedef XYZs::iterator XYZIter;
typedef XYZs::const_iterator XYZCIter;


struct Sphere {
  Sphere( XYZ xyz_in, PackstatReal rad_in, core::Size _id = 0 ) : xyz(xyz_in),radius(rad_in),id(_id),aid(1,_id) {}
  Sphere( XYZ xyz_in, PackstatReal rad_in, core::id::AtomID _aid ) : xyz(xyz_in),radius(rad_in),id(0),aid(_aid) {}
  XYZ xyz;
  PackstatReal radius,sasa;
  core::Size id;
  core::id::AtomID aid;
};

typedef utility::vector1<Sphere> Spheres;
typedef Spheres::iterator SphereIter;
typedef Spheres::const_iterator SphereCIter;

struct PosePackData : public utility::pointer::ReferenceCount {
  Spheres spheres;
  XYZs centers;
  utility::vector1<std::string> labels;
};
typedef utility::pointer::owning_ptr<PosePackData> PosePackDataOP;


} // namespace packstat
} // namespace scoring
} // namespace core




#endif