T_Molecular_covalent_structure_constraints_for_proteins< CovalentStructure, Conformation > Class Template Reference

Returns true iff the input conformation respects the input constraints. More...

#include <Molecular_covalent_structure_constraints_for_proteins.hpp>

Public Types
typedef T_Molecular_covalent_structure_constraints_for_proteins< CovalentStructure, Conformation >	Self
typedef CovalentStructure::Particle_rep	Particle_rep
typedef CovalentStructure::Bond_rep	Bond_rep
typedef CovalentStructure::Bond_angle_rep	Bond_angle_rep
typedef CovalentStructure::Torsion_angle_rep	Torsion_angle_rep
typedef Models::T_Conformation_traits< Conformation >	Conformation_traits
typedef Conformation_traits::FT	FT

Constructors
	T_Molecular_covalent_structure_constraints_for_proteins (const CovalentStructure &S)

Functors
bool	operator() (const Conformation &C) const

Parameters
void	add_constraint (Bond_rep b, const FT &min, const FT &max)
void	add_constraint (Bond_angle_rep b, const FT &min, const FT &max)
void	add_constraint (Torsion_angle_rep b, const FT &min, const FT &max)
void	load (const std::string &file_name)

Detailed Description

template<typename CovalentStructure, typename Conformation>
class SBL::CSB::T_Molecular_covalent_structure_constraints_for_proteins< CovalentStructure, Conformation >

Returns true iff the input conformation respects the input constraints.

Template Parameters

CovalentStructure	Representation of the topology of a molecule.
Conformation	Representation of the geometry of a molecule.

Member Typedef Documentation

Bond_angle_rep

typedef CovalentStructure::Bond_angle_rep Bond_angle_rep

Bond_rep

typedef CovalentStructure::Bond_rep Bond_rep

Conformation_traits

typedef Models::T_Conformation_traits<Conformation> Conformation_traits

FT

typedef Conformation_traits::FT FT

Particle_rep

typedef CovalentStructure::Particle_rep Particle_rep

Self

typedef T_Molecular_covalent_structure_constraints_for_proteins<CovalentStructure, Conformation> Self

Torsion_angle_rep

typedef CovalentStructure::Torsion_angle_rep Torsion_angle_rep

Constructor & Destructor Documentation

T_Molecular_covalent_structure_constraints_for_proteins()

T_Molecular_covalent_structure_constraints_for_proteins

(

const CovalentStructure &

S

)

Member Function Documentation

add_constraint() [1/3]

void add_constraint	(	Bond_angle_rep	b,
		const FT &	min,
		const FT &	max
	)

add_constraint() [2/3]

void add_constraint	(	Bond_rep	b,
		const FT &	min,
		const FT &	max
	)

add_constraint() [3/3]

void add_constraint	(	Torsion_angle_rep	b,
		const FT &	min,
		const FT &	max
	)

load()

void load

(

const std::string &

file_name

)

operator()()

bool operator()

(

const Conformation &

C

)

const