Rosetta Core  2014.35
Namespaces | Classes | Typedefs | Functions
core::scoring::etable Namespace Reference

Namespaces

 coulomb
 
 count_pair
 
 etrie
 

Classes

class  AnalyticEtableEnergy
 
class  AnalyticEtableEvaluator
 
struct  AtomPairEnergy
 
class  BaseEtableEnergy
 
class  BB_BB_EnergyInvoker
 
class  CoarseEtableEnergy
 
class  CoarseEtableEnergyCreator
 
struct  CubicPolynomial
 
class  Etable
 Class definition for Etable. More...
 
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
 jk Class definition for Etable More...
 
class  ResResEnergyInvoker
 
class  SC_BB_EnergyInvoker
 
class  SC_SC_EnergyInvoker
 
class  SC_Whole_EnergyInvoker
 
struct  SplineParameters
 SplineParameters is a simple struct for holding the cubic spline polynomials used in the etable to interpolate the lennard-jones attractive and LK-solvation terms to zero smoothly. These splines have exactly two knots to represent them, and the same x values are used for all the knots: thus the only parameters needed are the y values at the knots, and the second-derivatives for the polynomials at knots. More...
 
class  TableLookupEtableEnergy
 
class  TableLookupEvaluator
 
class  WholeWholeEnergyInvoker
 

Typedefs

typedef
utility::pointer::owning_ptr
< Etable
EtableOP
 
typedef
utility::pointer::owning_ptr
< Etable const > 
EtableCOP
 
typedef
utility::pointer::access_ptr
< Etable const > 
EtableCAP
 
typedef
utility::pointer::owning_ptr
< EtableEvaluator
EtableEvaluatorOP
 
typedef
utility::pointer::owning_ptr
< EtableEvaluator const > 
EtableEvaluatorCOP
 
typedef
utility::pointer::access_ptr
< EtableEvaluator const > 
EtableEvaluatorCAP
 
typedef
utility::pointer::owning_ptr
< AnalyticEtableEvaluator
AnalyticEtableEvaluatorOP
 
typedef
utility::pointer::owning_ptr
< EtableOptions
EtableOptionsOP
 
typedef
utility::pointer::owning_ptr
< EtableOptions const > 
EtableOptionsCOP
 
typedef
utility::pointer::owning_ptr
< MembEtable
MembEtableOP
 
typedef
utility::pointer::access_ptr
< MembEtable const > 
MembEtableCAP
 

Functions

bool operator== (EtableOptions const &a, EtableOptions const &b)
 

Typedef Documentation

Function Documentation

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