ConstantConstraint.cc

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// -*- 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.
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// (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
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/// @file core/scoring/constraints/ConstantConstraint.cc

#include <core/types.hh>
#include <core/scoring/constraints/ConstantConstraint.hh>
#include <core/scoring/constraints/Func.hh>
// AUTO-REMOVED #include <core/scoring/constraints/XYZ_Func.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreType.hh>

#include <core/id/AtomID.hh>

#include <utility/vector1.hh>


namespace core {
namespace scoring {
namespace constraints {

/// @brief compute score
Real
ConstantConstraint::score() const {
  return func_->func(0);
}

std::string ConstantConstraint::type() const {
  return "Constant";
}

/// @brief compute score
void
ConstantConstraint::score( XYZ_Func const &, EnergyMap const &, EnergyMap & emap ) const
{
  emap[ this->score_type() ] += score();
}

/// @brief compute atom deriv
void
ConstantConstraint::fill_f1_f2(
  AtomID const & ,
  XYZ_Func const &,
  Vector & /*F1*/,
  Vector & /*F2*/,
  EnergyMap const &
) const {}

/// @brief Constructor
ConstantConstraint::ConstantConstraint(
  FuncOP func_in, // we take ownership of this guy
  ScoreType scotype
):
  Constraint( scotype ),
  func_( func_in )
{}

ConstantConstraint::~ConstantConstraint() {}

/// @brief number of atoms --- zero
Size
ConstantConstraint::natoms() const
{
  return 0;
}

id::AtomID const &
ConstantConstraint::atom( core::Size const /*n*/ ) const {
  utility_exit_with_message( "ConstantConstraint::atom() - no atoms exist" );
  return *(new AtomID); // never happens
}

/// @brief output violation of constraint (none!)
Size ConstantConstraint::show_violations( std::ostream &, pose::Pose const &, Size, Real  ) const {
  return 0;
}

void ConstantConstraint::show( std::ostream& out ) const {
  out << "ConstantConstraint" << std::endl;
  func_->show( out );
}

} // constraints
} // scoring
} // core