T_Squared_angular_internal_distance< Conformation, NT, MolecularAlignment > Class Template Reference

Model of distance between angles of two conformations given with their internal coordinates. More...

#include <Squared_angular_internal_distance.hpp>

Public Types
typedef T_Squared_angular_internal_distance< Conformation, NT, MolecularAlignment >	Self
typedef Conformation	Point
typedef SBL::Models::T_Conformation_traits< Point >	Conformation_traits
typedef NT	FT

Public Member Functions
	T_Squared_angular_internal_distance (void)
	~T_Squared_angular_internal_distance (void)
void	set_alignment (MolecularAlignment &alignment)
FT	operator() (const Conformation &p, const Conformation &q) const

Detailed Description

template<class Conformation, class NT = double, class MolecularAlignment = Molecular_alignment_default>
class SBL::CSB::T_Squared_angular_internal_distance< Conformation, NT, MolecularAlignment >

Model of distance between angles of two conformations given with their internal coordinates.

The smallest difference between aligned angles of the two conformations are computed, and the squared distance is defined as the sum of the square of the differences.

Member Typedef Documentation

Conformation_traits

typedef SBL::Models::T_Conformation_traits<Point> Conformation_traits

FT

typedef NT FT

Point

typedef Conformation Point

Self

typedef T_Squared_angular_internal_distance<Conformation, NT, MolecularAlignment> Self

Constructor & Destructor Documentation

T_Squared_angular_internal_distance()

T_Squared_angular_internal_distance ( void  )

inline

~T_Squared_angular_internal_distance()

~T_Squared_angular_internal_distance ( void  )

inline

Member Function Documentation

operator()()

NT operator() ( const Conformation &  p, const Conformation &  q  ) const

inline

set_alignment()

void set_alignment

(

MolecularAlignment &

alignment

)