core::scoring::hackelec Namespace Reference

Classes
class	ElecAtom
struct	weight_triple
class	HackElecEnergy
class	HackElecEnergyAroAll
class	HackElecEnergyAroAllCreator
class	HackElecEnergyAroAro
class	HackElecEnergyAroAroCreator
class	HackElecEnergyCreator
class	RNAHackElecEnergy
class	RNAHackElecEnergyCreator
Typedefs
typedef utility::pointer::owning_ptr < HackElecEnergy >	HackElecEnergyOP
typedef utility::pointer::owning_ptr < HackElecEnergy const >	HackElecEnergyCOP
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)
bool	is_phosphate (conformation::Residue const &rsd, Size const i)
bool	is_sugar (conformation::Residue const &rsd, Size const i)
bool	is_base (conformation::Residue const &rsd, Size const i)

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Typedef Documentation

typedef utility::pointer::owning_ptr< HackElecEnergy const > core::scoring::hackelec::HackElecEnergyCOP

typedef utility::pointer::owning_ptr< HackElecEnergy > core::scoring::hackelec::HackElecEnergyOP

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Function Documentation

bool core::scoring::hackelec::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::hackelec::HackElecEnergyAroAro::eval_atom_derivative_aro_aro(), and core::scoring::hackelec::HackElecEnergyAroAro::residue_pair_energy_aro_aro().

bool core::scoring::hackelec::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::hackelec::HackElecEnergyAroAll::eval_atom_derivative_aro_aro(), and core::scoring::hackelec::HackElecEnergyAroAll::residue_pair_energy_aro_aro().

bool core::scoring::hackelec::is_base	(	conformation::Residue const &	rsd,
		Size const	i
	)

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

Referenced by core::scoring::hackelec::RNAHackElecEnergy::eval_atom_derivative_RNA(), and core::scoring::hackelec::RNAHackElecEnergy::residue_pair_energy_RNA().

bool core::scoring::hackelec::is_phosphate	(	conformation::Residue const &	rsd,
		Size const	i
	)

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

Referenced by core::scoring::hackelec::RNAHackElecEnergy::eval_atom_derivative_RNA(), is_base(), is_sugar(), and core::scoring::hackelec::RNAHackElecEnergy::residue_pair_energy_RNA().

bool core::scoring::hackelec::is_sugar	(	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().

Referenced by core::scoring::hackelec::RNAHackElecEnergy::eval_atom_derivative_RNA(), is_base(), and core::scoring::hackelec::RNAHackElecEnergy::residue_pair_energy_RNA().

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

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