core::scoring::etable Namespace Reference

Namespaces
	coulomb
	count_pair
	etrie

Classes
struct	AtomPairEnergy
class	BaseEtableEnergy
class	ResResEnergyInvoker
class	WholeWholeEnergyInvoker
class	SC_BB_EnergyInvoker
class	SC_Whole_EnergyInvoker
class	BB_BB_EnergyInvoker
class	SC_SC_EnergyInvoker
struct	ExtraQuadraticRepulsion
	the ExtraQuadraticRepulsion class is used to add in extra repulsion for particular atom pairs, if needed, (e.g. for OCbb/OCbb) where the functional form is: fa_rep += (xhi - x)^2 * slope for values of x between xlo and xhi, and fa_rep += (x - xlo ) * extrapolated_slope + ylo where extrapolated slope can be anything, but, to defined a function with continuous derivatives, should be extrapolated_slope = (xhi-xlo)^2*slope. This is the analytical implementation of the "modify_pot" behavior. More...
struct	EtableParamsOnePair
	EtableParamsOnePair describes all of the parameters for a particular pair of atom types necessary to evaluate the Lennard-Jones and LK solvation energies. More...
class	Etable
	Class definition for Etable. More...
class	EtableEvaluator
class	AnalyticEtableEvaluator
class	TableLookupEvaluator
class	TableLookupEtableEnergy
class	AnalyticEtableEnergy
class	EtableEnergyCreator
class	EtableClassicIntraEnergyCreator
class	EtableOptions
class	MembEtable
	Table of pre-computed LK membrane solvation energies. More...

Typedefs
typedef utility::pointer::shared_ptr< Etable >	EtableOP
typedef utility::pointer::shared_ptr< Etable const >	EtableCOP
typedef utility::pointer::weak_ptr< Etable const >	EtableCAP
typedef utility::pointer::shared_ptr< EtableEvaluator >	EtableEvaluatorOP
typedef utility::pointer::shared_ptr< EtableEvaluator const >	EtableEvaluatorCOP
typedef utility::pointer::weak_ptr< EtableEvaluator const >	EtableEvaluatorCAP
typedef utility::pointer::shared_ptr< AnalyticEtableEvaluator >	AnalyticEtableEvaluatorOP
typedef utility::pointer::shared_ptr< EtableEnergy >	EtableEnergyOP
typedef utility::pointer::shared_ptr< EtableOptions >	EtableOptionsOP
typedef utility::pointer::shared_ptr< EtableOptions const >	EtableOptionsCOP
typedef utility::pointer::shared_ptr< MembEtable >	MembEtableOP
typedef utility::pointer::shared_ptr< MembEtable const >	MembEtableCOP
typedef utility::pointer::weak_ptr< MembEtable const >	MembEtableCAP

Functions
static basic::Tracer	TR ("core.scoring.etable")
bool	operator< (EtableOptions const &a, EtableOptions const &b)
bool	operator== (EtableOptions const &a, EtableOptions const &b)
std::ostream &	operator<< (std::ostream &out, const EtableOptions &options)

Typedef Documentation

AnalyticEtableEvaluatorOP

typedef utility::pointer::shared_ptr< AnalyticEtableEvaluator > core::scoring::etable::AnalyticEtableEvaluatorOP

EtableCAP

typedef utility::pointer::weak_ptr< Etable const > core::scoring::etable::EtableCAP

EtableCOP

typedef utility::pointer::shared_ptr< Etable const > core::scoring::etable::EtableCOP

EtableEnergyOP

typedef utility::pointer::shared_ptr< EtableEnergy > core::scoring::etable::EtableEnergyOP

EtableEvaluatorCAP

typedef utility::pointer::weak_ptr< EtableEvaluator const > core::scoring::etable::EtableEvaluatorCAP

EtableEvaluatorCOP

typedef utility::pointer::shared_ptr< EtableEvaluator const > core::scoring::etable::EtableEvaluatorCOP

EtableEvaluatorOP

typedef utility::pointer::shared_ptr< EtableEvaluator > core::scoring::etable::EtableEvaluatorOP

EtableOP

typedef utility::pointer::shared_ptr< Etable > core::scoring::etable::EtableOP

EtableOptionsCOP

typedef utility::pointer::shared_ptr< EtableOptions const > core::scoring::etable::EtableOptionsCOP

EtableOptionsOP

typedef utility::pointer::shared_ptr< EtableOptions > core::scoring::etable::EtableOptionsOP

MembEtableCAP

typedef utility::pointer::weak_ptr< MembEtable const > core::scoring::etable::MembEtableCAP

MembEtableCOP

typedef utility::pointer::shared_ptr< MembEtable const > core::scoring::etable::MembEtableCOP

MembEtableOP

typedef utility::pointer::shared_ptr< MembEtable > core::scoring::etable::MembEtableOP

Function Documentation

operator<()

bool core::scoring::etable::operator<	(	EtableOptions const &	a,
		EtableOptions const &	b
	)

operator<<()

std::ostream& core::scoring::etable::operator<<	(	std::ostream &	out,
		const EtableOptions &	options
	)

operator==()

bool core::scoring::etable::operator==	(	EtableOptions const &	a,
		EtableOptions const &	b
	)

TR()

static basic::Tracer core::scoring::etable::TR ( "core.scoring.etable"  )

static

Referenced by core::scoring::etable::MembEtable::initialize_from_atomset(), core::scoring::etable::EtableOptions::initialize_from_options(), core::scoring::etable::Etable::input_etable(), core::scoring::etable::MembEtable::input_etable(), core::scoring::etable::Etable::make_pairenergy_table(), core::scoring::etable::MembEtable::make_pairenergy_table(), core::scoring::etable::MembEtable::modify_pot(), core::scoring::etable::Etable::modify_pot_one_pair(), core::scoring::etable::Etable::read_alternate_parameter_set(), core::scoring::etable::MembEtable::smooth_etables(), and core::scoring::etable::Etable::smooth_etables_one_pair().