core::scoring::elec Namespace Reference

Classes
class	ElecAtom
class	FA_ElecEnergy
class	FA_ElecEnergyAroAll
class	FA_ElecEnergyAroAllCreator
class	FA_ElecEnergyAroAro
class	FA_ElecEnergyAroAroCreator
class	FA_ElecEnergyCreator
class	RNA_FA_ElecEnergy
class	RNA_FA_ElecEnergyCreator
struct	weight_triple

Typedefs
typedef utility::pointer::owning_ptr < FA_ElecEnergy >	FA_ElecEnergyOP
typedef utility::pointer::owning_ptr < FA_ElecEnergy const >	FA_ElecEnergyCOP

Functions
std::ostream &	operator<< (std::ostream &os, ElecAtom const &atom)
bool	atom_is_aro2 (conformation::Residue const &rsd, Size const i)
bool	atom_is_aro (conformation::Residue const &rsd, Size const i)
RNAAtomType	assign_rna_atom_type (conformation::Residue const &rsd, Size const i)
bool	is_phosphate_2 (conformation::Residue const &rsd, Size const i)
bool	is_sugar_2 (conformation::Residue const &rsd, Size const i)
bool	is_base_2 (conformation::Residue const &rsd, Size const i)

Typedef Documentation

typedef utility::pointer::owning_ptr< FA_ElecEnergy const > core::scoring::elec::FA_ElecEnergyCOP

typedef utility::pointer::owning_ptr< FA_ElecEnergy > core::scoring::elec::FA_ElecEnergyOP

Function Documentation

RNAAtomType core::scoring::elec::assign_rna_atom_type	(	conformation::Residue const &	rsd,
		Size const	i
	)

References core::conformation::Residue::atom_base(), core::conformation::Residue::atom_is_hydrogen(), BASE, core::conformation::Residue::first_sidechain_atom(), core::chemical::rna::PHOSPHATE, and core::chemical::rna::SUGAR.

Referenced by core::scoring::elec::RNA_FA_ElecEnergy::rna_fa_elec_one_way().

bool core::scoring::elec::atom_is_aro	(	conformation::Residue const &	rsd,
		Size const	i
	)

References core::conformation::Residue::atom_type(), and core::chemical::AtomType::name().

Referenced by core::scoring::elec::FA_ElecEnergyAroAro::eval_atom_derivative_aro_aro(), and core::scoring::elec::FA_ElecEnergyAroAro::residue_pair_energy_aro_aro().

bool core::scoring::elec::atom_is_aro2	(	conformation::Residue const &	rsd,
		Size const	i
	)

References core::conformation::Residue::atom_type(), and core::chemical::AtomType::name().

Referenced by core::scoring::elec::FA_ElecEnergyAroAll::eval_atom_derivative_aro_aro(), and core::scoring::elec::FA_ElecEnergyAroAll::residue_pair_energy_aro_aro().

bool core::scoring::elec::is_base_2	(	conformation::Residue const &	rsd,
		Size const	i
	)

References core::conformation::Residue::atom_base(), core::conformation::Residue::atom_is_hydrogen(), is_phosphate_2(), and is_sugar_2().

Referenced by core::scoring::elec::RNA_FA_ElecEnergy::eval_atom_derivative_RNA().

bool core::scoring::elec::is_phosphate_2	(	conformation::Residue const &	rsd,
		Size const	i
	)

References core::conformation::Residue::atom_base(), and core::conformation::Residue::atom_is_hydrogen().

Referenced by core::scoring::elec::RNA_FA_ElecEnergy::eval_atom_derivative_RNA(), is_base_2(), and is_sugar_2().

bool core::scoring::elec::is_sugar_2	(	conformation::Residue const &	rsd,
		Size const	i
	)

References core::conformation::Residue::atom_base(), core::conformation::Residue::atom_is_hydrogen(), core::conformation::Residue::first_sidechain_atom(), and is_phosphate_2().

Referenced by core::scoring::elec::RNA_FA_ElecEnergy::eval_atom_derivative_RNA(), and is_base_2().

std::ostream & core::scoring::elec::operator<<	(	std::ostream &	os,
		ElecAtom const &	atom
	)

References core::scoring::elec::ElecAtom::print().