CircularPowerFunc.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 src/core/scoring/constraints/CircularPowerFunc.hh
/// @brief Definition for functions used in definition of constraints.
/// @author James Thompson

#include <core/scoring/constraints/CircularPowerFunc.hh>
#include <core/types.hh>
#include <numeric/angle.functions.hh>

// C++ Headers

namespace core {
namespace scoring {
namespace constraints {

CircularPowerFunc::CircularPowerFunc(
  Real const x0_radians,
  Real const sd_radians,
  int const power,
  Real const weight
) :
  x0_( x0_radians ),
  sd_( sd_radians ),
  power_( power ),
  weight_( weight )
{
  assert( std::abs( std::pow(3.0,2) - 9.0 ) < 1e-3 );
  assert( power_ != 1 && power_ != 0 );
}

FuncOP
CircularPowerFunc::clone() const {
  return new CircularPowerFunc( *this );
}

Real
CircularPowerFunc::func( Real const x ) const {
  Real const z = ( numeric::nearest_angle_radians(x,x0_)-x0_ )/sd_;
  return weight_ * std::pow( z, power_ );
}

Real
CircularPowerFunc::dfunc( Real const x ) const {
  Real const z = ( numeric::nearest_angle_radians(x,x0_)-x0_ )/sd_;
  return weight_ * power_ * std::pow( z, power_ - 1 ) / sd_;
}

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