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

Contribution of all bonded energy terms to the potential energy function. More...

#include <Molecular_potential_energy_linear_structure.hpp>

Detailed Description

template<class ConformationType, class CovalentStructure, class PotentialEnergyParameters, class EnergyBondedLengthsTerm = T_Molecular_potential_energy_bond_length_term_harmonic<ConformationType, CovalentStructure, PotentialEnergyParameters>, class EnergyBondAnglesTerm = T_Molecular_potential_energy_bond_angle_term_harmonic<ConformationType, CovalentStructure, PotentialEnergyParameters>, class EnergyDihedralAnglesTerm = T_Molecular_potential_energy_torsion_angle_term_periodic<ConformationType, CovalentStructure, PotentialEnergyParameters>>
class SBL::CSB::T_Molecular_potential_energy_bonded_contribution< ConformationType, CovalentStructure, PotentialEnergyParameters, EnergyBondedLengthsTerm, EnergyBondAnglesTerm, EnergyDihedralAnglesTerm >

Contribution of all bonded energy terms to the potential energy function.

It combines the three contributions to the energy function related to bonded lengths, bonded angles and dihedral angles.

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
EnergyBondedLengthsTermmodel of term from bonded lengths.
EnergyBondAnglesTermmodel of term from bonded angles.
EnergyDihedralAnglesTermmodel of term from dihedral angles.
EnergyImproperAnglesTermmodel of term from improper angles.

It combines the three contributions to the energy function related to bonded lengths, bonded angles and torsion angles.

Template Parameters
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