KarplusFunc.cc

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// vi: set ts=2 noet:
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/// @file src/core/scoring/constraints/KarplusFunc.cc
/// @brief Definition for functions used in definition of constraints.
/// @author Nikolas Sgourakis

#include <core/scoring/constraints/KarplusFunc.hh>
// AUTO-REMOVED #include <numeric/angle.functions.hh>
#include <core/types.hh>

#include <iostream>

#include <cmath>


namespace core {
namespace scoring {
namespace constraints {

Real
KarplusFunc::func( Real const x ) const {
  Real const cosine = cos( x + Dphi_ );
  Real const j = A_ * cosine * cosine + B_ * cosine + C_;
  Real const z = (j - x0_)  / sd_;
  return z * z;

}

Real
KarplusFunc::dfunc( Real const x ) const {
  Real const sine = sin (x+Dphi_);
  Real const cosine = cos (x+Dphi_);
  Real const j = A_ * cosine * cosine + B_ * cosine + C_;
  return  -2 *( (j -x0_ ) / (sd_ * sd_) ) * sine *(2*A_*cosine + B_ ) ;
}

void
KarplusFunc::read_data( std::istream & in ) {
  in >> A_ >> B_ >>C_ >> Dphi_ >> x0_ >> sd_ >>offset_;
}

void KarplusFunc::show_definition( std::ostream & out ) const
{
  out << "KarplusFunc " << A_ <<' ' <<  B_ << ' ' << C_ << ' ' << Dphi_ << ' '<< x0_ << ' ' << sd_ << ' ' << offset_;
}

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