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>

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.