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

#include <Molecular_potential_energy_linear_structure.hpp>

Public Types

typedef T_Molecular_potential_energy_bonded_contribution< ConformationType, CovalentStructure, PotentialEnergyParameters, T_Molecular_potential_energy_bond_length_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters >, T_Molecular_potential_energy_bond_angle_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters >, T_Molecular_potential_energy_torsion_angle_in_linear_structure_term< ConformationType, CovalentStructure, PotentialEnergyParameters > > Self
 
typedef EnergyBondedLengthsTerm::FT FT
 
typedef ConformationType Conformation
 
typedef PotentialEnergyParameters Potential_energy_parameters
 
typedef CovalentStructure Covalent_structure
 
typedef T_Molecular_potential_energy_contribution< T_Bonded_particles_visitor< CovalentStructure >, T_Molecular_potential_energy_bond_length_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > > Bond_lengths_contribution
 
typedef T_Molecular_potential_energy_contribution< T_Bond_angles_visitor< CovalentStructure >, T_Molecular_potential_energy_bond_angle_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > > Bond_angles_contribution
 
typedef T_Molecular_potential_energy_contribution< T_Dihedral_angles_visitor< CovalentStructure >, T_Molecular_potential_energy_torsion_angle_in_linear_structure_term< ConformationType, CovalentStructure, PotentialEnergyParameters > > Dihedral_angles_contribution
 
typedef PotentialEnergyParameters::Unit_system_traits::Molar_energy_quantity Molar_energy_quantity
 

Public Member Functions

Molar_energy_quantity operator() (const Conformation &C, const Covalent_structure &S) const
 
Molar_energy_quantity get_bond_lengths_contribution (const Conformation &C, const Covalent_structure &S) const
 
Molar_energy_quantity get_bond_angles_contribution (const Conformation &C, const Covalent_structure &S) const
 
Molar_energy_quantity get_dihedral_angles_contribution (const Conformation &C, const Covalent_structure &S) const
 

Member Typedef Documentation

◆ Bond_angles_contribution

typedef T_Molecular_potential_energy_contribution<T_Bond_angles_visitor<CovalentStructure>, T_Molecular_potential_energy_bond_angle_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > > Bond_angles_contribution
inherited

◆ Bond_lengths_contribution

typedef T_Molecular_potential_energy_contribution<T_Bonded_particles_visitor<CovalentStructure>,T_Molecular_potential_energy_bond_length_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > > Bond_lengths_contribution
inherited

◆ Conformation

typedef ConformationType Conformation
inherited

◆ Covalent_structure

typedef CovalentStructure Covalent_structure
inherited

◆ Dihedral_angles_contribution

typedef T_Molecular_potential_energy_contribution<T_Dihedral_angles_visitor<CovalentStructure>, T_Molecular_potential_energy_torsion_angle_in_linear_structure_term< ConformationType, CovalentStructure, PotentialEnergyParameters > > Dihedral_angles_contribution
inherited

◆ FT

typedef EnergyBondedLengthsTerm::FT FT
inherited

◆ Molar_energy_quantity

typedef PotentialEnergyParameters::Unit_system_traits::Molar_energy_quantity Molar_energy_quantity
inherited

◆ Potential_energy_parameters

typedef PotentialEnergyParameters Potential_energy_parameters
inherited

◆ Self

typedef T_Molecular_potential_energy_bonded_contribution<ConformationType, CovalentStructure, PotentialEnergyParameters, T_Molecular_potential_energy_bond_length_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_bond_angle_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_torsion_angle_in_linear_structure_term< ConformationType, CovalentStructure, PotentialEnergyParameters > > Self
inherited

Member Function Documentation

◆ get_bond_angles_contribution()

T_Molecular_potential_energy_bonded_contribution< ConformationType, CovalentStructure, PotentialEnergyParameters, T_Molecular_potential_energy_bond_length_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_bond_angle_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_torsion_angle_in_linear_structure_term< ConformationType, CovalentStructure, PotentialEnergyParameters > >::Molar_energy_quantity get_bond_angles_contribution ( const Conformation &  C,
const Covalent_structure &  S 
) const
inlineinherited

◆ get_bond_lengths_contribution()

T_Molecular_potential_energy_bonded_contribution< ConformationType, CovalentStructure, PotentialEnergyParameters, T_Molecular_potential_energy_bond_length_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_bond_angle_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_torsion_angle_in_linear_structure_term< ConformationType, CovalentStructure, PotentialEnergyParameters > >::Molar_energy_quantity get_bond_lengths_contribution ( const Conformation &  C,
const Covalent_structure &  S 
) const
inlineinherited

◆ get_dihedral_angles_contribution()

T_Molecular_potential_energy_bonded_contribution< ConformationType, CovalentStructure, PotentialEnergyParameters, T_Molecular_potential_energy_bond_length_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_bond_angle_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_torsion_angle_in_linear_structure_term< ConformationType, CovalentStructure, PotentialEnergyParameters > >::Molar_energy_quantity get_dihedral_angles_contribution ( const Conformation &  C,
const Covalent_structure &  S 
) const
inlineinherited

◆ operator()()

T_Molecular_potential_energy_bonded_contribution< ConformationType, CovalentStructure, PotentialEnergyParameters, T_Molecular_potential_energy_bond_length_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_bond_angle_term_harmonic< ConformationType, CovalentStructure, PotentialEnergyParameters > , T_Molecular_potential_energy_torsion_angle_in_linear_structure_term< ConformationType, CovalentStructure, PotentialEnergyParameters > >::Molar_energy_quantity operator() ( const Conformation &  C,
const Covalent_structure &  S 
) const
inlineinherited