EtableFunc.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/EtableFunc.hh
/// @brief Definition for functions used in definition of constraints.
/// @author James Thompson

#include <core/scoring/constraints/EtableFunc.hh>
#include <core/scoring/constraints/util.hh>

// AUTO-REMOVED #include <basic/Tracer.hh>
#include <core/types.hh>

#include <utility/exit.hh>

// C++ Headers

#include <iostream>

#include <utility/vector1.hh>


namespace core {
namespace scoring {
namespace constraints {

  void
  EtableFunc::read_data( std::istream& in ) {
    in  >> min_ >> max_;
    stepsize_ = 0.1;
    for ( Real r = min_; r <= max_; r += stepsize_ ) {
      core::Real func_temp;
      in >> func_temp;
      func_.push_back( func_temp  );
    } // for ( Real r = min_; r <= max_; r += stepsize_ )
  }

  Real
  EtableFunc::func( Real const x ) const  {
    // find the appopriate index into func_
    Real index = ( x - min_ ) / stepsize_;
    Size x_lower_idx = (Size) (index);
    Size x_upper_idx = x_lower_idx + 1;

    Real x_lower = min_ + (x_lower_idx * stepsize_);
    Real x_upper = min_ + (x_upper_idx * stepsize_);
    return linear_interpolate( x, x_lower, x_upper, func_[x_lower_idx], func_[x_upper_idx] );
  } // func

  Real
  EtableFunc::dfunc( Real const ) const {
    utility_exit_with_message( "dfunc not implemented!\n" );
    return -1;
  } // dfunc

  void EtableFunc::show_definition( std::ostream& out ) const {
    out << "ETABLEFUNC " << min_ << ' ' << max_;
    for ( utility::vector1< core::Real >::const_iterator f_it = func_.begin(), f_end = func_.end();
          f_it != f_end;
          ++f_it
    ) {
      out << ' ' << *f_it;
    } // for func_ and dfunc_

    out << "\n";
  } // show_definition

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