BoundConstraint.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.
// -*- 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
/// @brief
/// @author Oliver Lange

#ifndef INCLUDED_core_scoring_constraints_BoundConstraint_hh
#define INCLUDED_core_scoring_constraints_BoundConstraint_hh

#include <core/scoring/constraints/BoundConstraint.fwd.hh>
//#include <core/scoring/constraints/Constraint.hh>
//#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/Func.hh>
#include <core/types.hh>
#include <basic/basic.hh>


// C++ Headers
//#include <cstdlib>
#include <iostream>

//#include <map>
//#include <utility>


namespace core {
namespace scoring {
namespace constraints {

///
class BoundFunc : public Func {
public:
  BoundFunc( Real const lb, Real const ub, Real sd, std::string type ): lb_( lb ), ub_( ub ), sd_ ( sd ), rswitch_( 0.5 ), type_( type ) {}
  BoundFunc( Real const lb, Real const ub, Real sd, Real rswitch, std::string type )
    : lb_( lb ), ub_( ub ), sd_ ( sd ), rswitch_( rswitch ), type_( type ) {}

  virtual
  FuncOP clone() const { return new BoundFunc( *this ); };

  virtual
  void read_data( std::istream& );

  virtual
  Real
  func( Real const x ) const;

  virtual
  Real
  dfunc( Real const x ) const;

  virtual
  void show_definition( std::ostream &out ) const;

  virtual
  Size show_violations( std::ostream& out, Real x, Size verbose_level, Real threshold = 1 ) const;

  Real lb() const { return lb_; }
  Real ub() const { return ub_; }
  Real sd() const { return sd_; }
  Real rswitch() const {return rswitch_;}
  std::string type() const {return type_;}

private:
  Real lb_;
  Real ub_;
  Real sd_;
  Real rswitch_;
  std::string type_;
};


/// a variant of the bound func that is periodic
class PeriodicBoundFunc : public BoundFunc
{
public:
  typedef BoundFunc parent;

public:
  PeriodicBoundFunc(
    Real const lb, Real const ub, Real sd, std::string type, Real const periodicity_in
  ) :
  BoundFunc(
    basic::periodic_range(lb, periodicity_in),
    basic::periodic_range(ub,periodicity_in),
    sd, type
  ),
  periodicity_( periodicity_in )
  {}

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

  void read_data( std::istream& );

  Real func(Real const x ) const
  {
    return parent::func( basic::periodic_range(x , periodicity_ ) );
  }

  Real dfunc( Real const x ) const
  {
    return parent::dfunc( basic::periodic_range(x , periodicity_ ) );
  }

  void show_definition( std::ostream& out ) const;

  virtual Size show_violations( std::ostream& out, Real x, Size verbose_level, Real threshold = 1) const
  {
    return parent::show_violations( out, basic::periodic_range( x, periodicity_ ), verbose_level, threshold );
  }

private:
  Real periodicity_;

};


/// a variant of the bound func that is periodic
class OffsetPeriodicBoundFunc : public BoundFunc
{
public:
  typedef BoundFunc parent;

public:
  OffsetPeriodicBoundFunc(
    Real const lb, Real const ub, Real sd, std::string type, Real const periodicity_in, Real const offset_in
  ) :
  BoundFunc(
    lb,ub,
    sd, type
  ),
  periodicity_( periodicity_in ),
  offset_( offset_in )
  {}

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

  void read_data( std::istream& );

  Real func(Real const x ) const
  {
    return parent::func( basic::periodic_range(x - offset_, periodicity_ ) );
  }

  Real dfunc( Real const x ) const
  {
    return parent::dfunc( basic::periodic_range(x - offset_, periodicity_ ) );
  }

  void show_definition( std::ostream& out ) const;

  virtual Size show_violations( std::ostream& out, Real x, Size verbose_level, Real threshold = 1) const
  {
    return parent::show_violations( out, basic::periodic_range( x, periodicity_ ), verbose_level, threshold );
  }


private:
  Real periodicity_;
  Real offset_;

};


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

#endif
// (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
/// @brief
/// @author Oliver Lange

#ifndef INCLUDED_core_scoring_constraints_BoundConstraint_hh
#define INCLUDED_core_scoring_constraints_BoundConstraint_hh

#include <core/scoring/constraints/BoundConstraint.fwd.hh>
//#include <core/scoring/constraints/Constraint.hh>
//#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/Func.hh>
#include <core/types.hh>
#include <basic/basic.hh>


// C++ Headers
//#include <cstdlib>
#include <iostream>

//#include <map>
//#include <utility>


namespace core {
namespace scoring {
namespace constraints {

///
class BoundFunc : public Func {
public:
  BoundFunc( Real const lb, Real const ub, Real sd, std::string type ): lb_( lb ), ub_( ub ), sd_ ( sd ), rswitch_( 0.5 ), type_( type ) {}
  BoundFunc( Real const lb, Real const ub, Real sd, Real rswitch, std::string type )
    : lb_( lb ), ub_( ub ), sd_ ( sd ), rswitch_( rswitch ), type_( type ) {}

  virtual
  FuncOP clone() const { return new BoundFunc( *this ); };

  virtual
  void read_data( std::istream& );

  virtual
  Real
  func( Real const x ) const;

  virtual
  Real
  dfunc( Real const x ) const;

  virtual
  void show_definition( std::ostream &out ) const;

  virtual
  Size show_violations( std::ostream& out, Real x, Size verbose_level, Real threshold = 1 ) const;

  Real lb() const { return lb_; }
  Real ub() const { return ub_; }
  Real sd() const { return sd_; }

private:
  Real lb_;
  Real ub_;
  Real sd_;
  Real rswitch_;
  std::string type_;
};


/// a variant of the bound func that is periodic
class PeriodicBoundFunc : public BoundFunc
{
public:
  typedef BoundFunc parent;

public:
  PeriodicBoundFunc(
    Real const lb, Real const ub, Real sd, std::string type, Real const periodicity_in
  ) :
  BoundFunc(
    basic::periodic_range(lb, periodicity_in),
    basic::periodic_range(ub,periodicity_in),
    sd, type
  ),
  periodicity_( periodicity_in )
  {}

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

  void read_data( std::istream& );

  Real func(Real const x ) const
  {
    return parent::func( basic::periodic_range(x , periodicity_ ) );
  }

  Real dfunc( Real const x ) const
  {
    return parent::dfunc( basic::periodic_range(x , periodicity_ ) );
  }

  void show_definition( std::ostream& out ) const;

  virtual Size show_violations( std::ostream& out, Real x, Size verbose_level, Real threshold = 1) const
  {
    return parent::show_violations( out, basic::periodic_range( x, periodicity_ ), verbose_level, threshold );
  }

private:
  Real periodicity_;

};


/// a variant of the bound func that is periodic
class OffsetPeriodicBoundFunc : public BoundFunc
{
public:
  typedef BoundFunc parent;

public:
  OffsetPeriodicBoundFunc(
    Real const lb, Real const ub, Real sd, std::string type, Real const periodicity_in, Real const offset_in
  ) :
  BoundFunc(
    lb,ub,
    sd, type
  ),
  periodicity_( periodicity_in ),
  offset_( offset_in )
  {}

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

  void read_data( std::istream& );

  Real func(Real const x ) const
  {
    return parent::func( basic::periodic_range(x - offset_, periodicity_ ) );
  }

  Real dfunc( Real const x ) const
  {
    return parent::dfunc( basic::periodic_range(x - offset_, periodicity_ ) );
  }

  void show_definition( std::ostream& out ) const;

  virtual Size show_violations( std::ostream& out, Real x, Size verbose_level, Real threshold = 1) const
  {
    return parent::show_violations( out, basic::periodic_range( x, periodicity_ ), verbose_level, threshold );
  }

private:
  Real periodicity_;
  Real offset_;

};


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

#endif