Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT > Member List

This is the complete list of members for T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >, including all inherited members.

add_options(void) constT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
add_options(void) constT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
Base typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Base typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_attractive_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_attractive_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_coefficients_parameters_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_coefficients_parameters_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_length_energy_constant_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_length_energy_constant_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_length_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_length_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_repulsive_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_repulsive_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Binary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
check_options(std::string &message) constT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
check_options(std::string &message) constT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
CMap_coefficients_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_1 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_1 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_2 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_2 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_3 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_3 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_4 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_4 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_5 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_5 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_6 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_6 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_7 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_7 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_8 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_coefficients_map_8 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_1 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_1 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_2 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_2 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_3 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_3 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_4 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_4 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_5 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_5 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_6 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_6 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_7 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_7 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_8 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
CMap_resolution_map_8 typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Covalent_structure typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Covalent_structure typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
delete_options(void)T_Module_option_description< Dummy >inlinestatic
get_bond_angle_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_bond_angle_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_bond_angle_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_bond_angle_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_bond_length_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_bond_length_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_bond_length_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_bond_length_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_cmap_coefficients(const Covalent_structure &C, const Particle_rep &p1, const Particle_rep &p2, const Particle_rep &p3, const Particle_rep &p4, const Particle_rep &q1, const Particle_rep &q2, const Particle_rep &q3, const Particle_rep &q4)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_cmap_coefficients(const Covalent_structure &C, const Particle_rep &p1, const Particle_rep &p2, const Particle_rep &p3, const Particle_rep &p4, const Particle_rep &q1, const Particle_rep &q2, const Particle_rep &q3, const Particle_rep &q4)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_cmap_resolution(const Covalent_structure &C, const Particle_rep &p1, const Particle_rep &p2, const Particle_rep &p3, const Particle_rep &p4, const Particle_rep &q1, const Particle_rep &q2, const Particle_rep &q3, const Particle_rep &q4)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_cmap_resolution(const Covalent_structure &C, const Particle_rep &p1, const Particle_rep &p2, const Particle_rep &p3, const Particle_rep &p4, const Particle_rep &q1, const Particle_rep &q2, const Particle_rep &q3, const Particle_rep &q4)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_dielectric_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_dielectric_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_dihedral_coefficient(const Covalent_structure &C, const Particle_rep &p, unsigned i)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_dihedral_coefficient(const Covalent_structure &C, const Particle_rep &p, unsigned i)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_electrostatic_charge(const Covalent_structure &C, const Particle_rep &p)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_electrostatic_charge(const Covalent_structure &C, const Particle_rep &p)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_bond_angle(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_bond_angle(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_bond_angle(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_bond_angle(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_bond_length(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_bond_length(const Covalent_structure &C, const typename Covalent_structure::Bond_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_bond_length(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_bond_length(const Covalent_structure &C, const typename Covalent_structure::Bond_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_improper_angle(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_improper_angle(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_improper_angle(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_improper_angle(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_torsion_angles(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_torsion_angles(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_torsion_angles(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_torsion_angles(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_Urey_Bradley(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_Urey_Bradley(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_Urey_Bradley(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_equilibrium_Urey_Bradley(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_improper_angle_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_improper_angle_force_constant(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_improper_angle_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_improper_angle_force_constant(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_improper_angle_parameters(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_improper_angle_parameters(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_input_angle_unit(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_input_angle_unit(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_input_charge_unit(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_input_charge_unit(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_input_length_unit(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_input_length_unit(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_input_molar_energy_unit(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_input_molar_energy_unit(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Lennard_Jones_attractive_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Lennard_Jones_attractive_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Lennard_Jones_epsilon_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Lennard_Jones_epsilon_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Lennard_Jones_repulsive_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Lennard_Jones_repulsive_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_loader_instance_name(void) constLoader_baseinline
get_name(void) constT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
get_name(void) constT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
get_options(void)T_Module_option_description< Dummy >inlinestatic
get_output_prefix(void) constT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
get_output_prefix(void) constT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
get_torsion_angle_force_constants(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_torsion_angle_force_constants(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_torsion_angle_force_constants(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r, const Particle_rep &t)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_torsion_angle_force_constants(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_torsion_angle_number_of_periods(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_torsion_angle_number_of_periods(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_torsion_angle_parameters(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b, unsigned i)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_torsion_angle_parameters(const Covalent_structure &C, const typename Covalent_structure::Torsion_angle_rep &b, unsigned i)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Urey_Bradley_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Urey_Bradley_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Urey_Bradley_force_constant(const Covalent_structure &C, const Particle_rep &p, const Particle_rep &q, const Particle_rep &r)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
get_Urey_Bradley_force_constant(const Covalent_structure &C, const typename Covalent_structure::Bond_angle_rep &b)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
has_options(void)T_Module_option_description< Dummy >inlinestatic
ignore_1_3_interactions(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
ignore_1_3_interactions(void)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
Index_to_type_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Index_to_type_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
initialize_options(const std::string &caption)T_Module_option_description< Dummy >inlinestatic
load(unsigned verbose=0, std::ostream &out=std::cout)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
load(unsigned verbose=0, std::ostream &out=std::cout)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinevirtual
Loader_base(void)Loader_baseinline
Name_to_index_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Name_to_index_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Particle_rep typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Particle_rep typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quaternary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quaternary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quaternary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quaternary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quaternary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quaternary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quinternary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quinternary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quinternary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quinternary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quinternary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Quinternary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
s_bond_angle_force_constantT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_bond_length_force_constantT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_cmap_coefficientsT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_cmap_resolutionsT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_dagT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_dihedral_coefficientsT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_electrostatic_chargesT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_equilibrium_bond_angleT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_equilibrium_bond_lengthT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_equilibrium_improper_angleT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_equilibrium_torsion_angleT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_equilibrium_Urey_BradleyT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_file_nameT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_fudge_LJ14_constantT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_fudge_LJ_constantT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_fudge_QQ14_constantT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_fudge_QQ_constantT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_ignore_1_3_interactionsT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_improper_angle_force_constantT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_index_to_typeT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_is_coulombT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_is_degreeT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_is_kilojouleT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_is_nanometerT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_Lennard_Jones_attractive_constantsT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_Lennard_Jones_epsilon_constantsT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_Lennard_Jones_repulsive_constantsT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_Lennard_Jones_sigma_constantsT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_name_to_indexT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_nb_sse_typesT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_secondary_structureT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_torsion_angle_force_constantT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
s_Urey_Bradley_force_constantT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >static
Self typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Self typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
set_bond_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_bond_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_bond_length_force_constant(const std::string &p1, const std::string &p2, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_bond_length_force_constant(const std::string &p1, const std::string &p2, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_cmap_coefficients(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, const std::string &p5, const std::string &p6, const std::string &p7, const std::string &p8, const std::map< FT, std::map< FT, FT > > &coefficients)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_cmap_coefficients(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, const std::string &p5, const std::string &p6, const std::string &p7, const std::string &p8, const std::map< FT, std::map< FT, FT > > &coefficients)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_cmap_resolution(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, const std::string &p5, const std::string &p6, const std::string &p7, const std::string &p8, unsigned resolution)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_cmap_resolution(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, const std::string &p5, const std::string &p6, const std::string &p7, const std::string &p8, unsigned resolution)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_dihedral_coefficient(unsigned ss_rep, unsigned num_coeff, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_dihedral_coefficient(unsigned ss_rep, unsigned num_coeff, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_electrostatic_charge(unsigned index, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_electrostatic_charge(unsigned index, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_bond_angle(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_bond_angle(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_bond_length(const std::string &p1, const std::string &p2, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_bond_length(const std::string &p1, const std::string &p2, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_improper_angle(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_improper_angle(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_torsion_angle(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_torsion_angle(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_Urey_Bradley(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_equilibrium_Urey_Bradley(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_file_name(const std::string &file_name)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_file_name(const std::string &file_name)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_fudge_LJ14_constant(const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_fudge_LJ14_constant(const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_fudge_LJ_constant(const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_fudge_LJ_constant(const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_fudge_QQ14_constant(const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_fudge_QQ14_constant(const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_fudge_QQ_constant(const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_fudge_QQ_constant(const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_ignore_1_3_interactions(bool ignore_angles)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_ignore_1_3_interactions(bool ignore_angles)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_improper_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_improper_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_is_coulomb(bool is_coulomb)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_is_coulomb(bool is_coulomb)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_is_degree(bool is_degree)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_is_degree(bool is_degree)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_is_kilojoule(bool is_kilojoule)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_is_kilojoule(bool is_kilojoule)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_is_nanometer(bool is_nanometer)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_is_nanometer(bool is_nanometer)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Lennard_Jones_attractive_constant(const std::string &p1, const std::string &p2, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Lennard_Jones_attractive_constant(const std::string &p1, const std::string &p2, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Lennard_Jones_epsilon_constant(unsigned index, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Lennard_Jones_epsilon_constant(unsigned index, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Lennard_Jones_repulsive_constant(const std::string &p1, const std::string &p2, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Lennard_Jones_repulsive_constant(const std::string &p1, const std::string &p2, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Lennard_Jones_sigma_constant(unsigned index, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Lennard_Jones_sigma_constant(unsigned index, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_loader_instance_name(const std::string &loader_instance_name)Loader_baseinline
set_torsion_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_torsion_angle_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const std::string &p4, unsigned n, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Urey_Bradley_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
set_Urey_Bradley_force_constant(const std::string &p1, const std::string &p2, const std::string &p3, const FT &v)T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >inlinestatic
Ternary_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_length_energy_constant_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_length_energy_constant_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_length_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_length_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Ternary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_attractive_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_attractive_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_charge_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_charge_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_coefficients_parameters_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_coefficients_parameters_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_energy_nonbonded_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_energy_nonbonded_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_length_energy_constant_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_length_energy_constant_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_length_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_length_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_length_nonbonded_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_length_nonbonded_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_repulsive_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_repulsive_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_torsion_angle_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_torsion_angle_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unary_torsion_energy_map typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unit_system_traits typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Unit_system_traits typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Wildcards_DAG typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
Wildcards_DAG typedefT_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >
~Loader_base(void)Loader_baseinlinevirtual