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Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Defines the gradient associated to the torsion angle. More...
#include <Molecular_potential_energy_gradient.hpp>
Public Types | |
typedef T_Molecular_covalent_structure_torsion_angle_gradient< ConformationType, CovalentStructure > | Self |
typedef ConformationType | Conformation |
typedef SBL::Models::T_Conformation_traits< Conformation > | Conformation_traits |
typedef Conformation_traits::FT | FT |
typedef CovalentStructure::Torsion_angle_rep | Torsion_angle_rep |
typedef T_Molecular_primitive_internal_coordinates< Conformation, CovalentStructure > | Internal_coordinates |
Public Member Functions | |
std::array< FT, 12 > | operator() (const ConformationType &C, const CovalentStructure &S, const Torsion_angle_rep &angle) const |
Defines the gradient associated to the torsion angle.
Defines the gradient associated to the torsion angle.
ConformationType | The type of the input geometric conformation, as defined in the package ConformationTraits |
CovalentStructure | The type of the input covalent structure, as defined in the package Molecular_covalent_structure |
typedef ConformationType Conformation |
typedef Conformation_traits::FT FT |
typedef T_Molecular_primitive_internal_coordinates<Conformation, CovalentStructure> Internal_coordinates |
typedef T_Molecular_covalent_structure_torsion_angle_gradient<ConformationType, CovalentStructure> Self |
typedef CovalentStructure::Torsion_angle_rep Torsion_angle_rep |
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