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

Defines the Urey-Bradley gradient associated to a bond angle. More...

#include <Molecular_potential_energy_gradient.hpp>

Detailed Description

template<class ConformationType, class CovalentStructure, class PotentialEnergyParameters>
class SBL::CSB::T_Molecular_potential_energy_bond_angle_gradient_Urey_Bradley< ConformationType, CovalentStructure, PotentialEnergyParameters >

Defines the Urey-Bradley gradient associated to a bond angle.

For some angles, in addition to the standard bond stretching and angle bending, this harmonic gradient account for the distance between the first and last particles of an angle.

Template Parameters
ConformationTypeThe type of the input geometric conformation, as defined in the package Molecular_conformation
CovalentStructureThe type of the input covalent structure, as defined in the package Molecular_covalent_structure
PotentialEnergyParametersClass defining the parameters of the associated force field as the class SBL::IO::T_Potential_energy_parameters