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core::scoring::etable Namespace Reference

Namespaces

 coulomb
 
 count_pair
 
 etrie
 

Classes

class  AnalyticEtableEnergy
 
class  AnalyticEtableEvaluator
 
struct  AtomPairEnergy
 
class  BaseEtableEnergy
 
class  BB_BB_EnergyInvoker
 
class  Etable
 Class definition for Etable. More...
 
class  EtableClassicIntraEnergyCreator
 
class  EtableEnergyCreator
 
class  EtableEvaluator
 
class  EtableOptions
 
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...
 
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...
 
class  MembEtable
 Table of pre-computed LK membrane solvation energies. More...
 
class  ResResEnergyInvoker
 
class  SC_BB_EnergyInvoker
 
class  SC_SC_EnergyInvoker
 
class  SC_Whole_EnergyInvoker
 
class  TableLookupEtableEnergy
 
class  TableLookupEvaluator
 
class  WholeWholeEnergyInvoker
 

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

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

Function Documentation

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