Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Molecular_covalent_structure_bond_angle_gradient< ConformationType, CovalentStructure > Class Template Reference

Defines the gradient associated to the bond angle. More...

#include <Molecular_potential_energy_gradient.hpp>

Public Types

typedef T_Molecular_covalent_structure_bond_angle_gradient< ConformationType, CovalentStructure > Self
 
typedef ConformationType Conformation
 
typedef SBL::Models::T_Conformation_traits< ConformationConformation_traits
 
typedef Conformation_traits::FT FT
 
typedef CovalentStructure::Bond_angle_rep Bond_angle_rep
 
typedef T_Molecular_primitive_internal_coordinates< Conformation, CovalentStructure > Internal_coordinates
 

Public Member Functions

std::array< FT, 9 > operator() (const ConformationType &C, const CovalentStructure &S, const Bond_angle_rep &angle) const
 

Detailed Description

template<class ConformationType, class CovalentStructure>
class SBL::CSB::T_Molecular_covalent_structure_bond_angle_gradient< ConformationType, CovalentStructure >

Defines the gradient associated to the bond angle.

Defines the gradient associated to the bond angle.

Template Parameters
ConformationTypeThe type of the input geometric conformation, as defined in the package ConformationTraits
CovalentStructureThe type of the input covalent structure, as defined in the package Molecular_covalent_structure

Member Typedef Documentation

◆ Bond_angle_rep

typedef CovalentStructure::Bond_angle_rep Bond_angle_rep

◆ Conformation

typedef ConformationType Conformation

◆ Conformation_traits

◆ FT

typedef Conformation_traits::FT FT

◆ Internal_coordinates

◆ Self

typedef T_Molecular_covalent_structure_bond_angle_gradient<ConformationType, CovalentStructure> Self

Member Function Documentation

◆ operator()()

std::array< typename T_Molecular_covalent_structure_bond_angle_gradient< ConformationType, CovalentStructure >::FT, 9 > operator() ( const ConformationType &  C,
const CovalentStructure &  S,
const Bond_angle_rep angle 
) const
inline