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core::scoring::SpringParams Class Reference

Parameter set for one torsion angle. More...

#include <GenericBondedPotential.hh>

Public Member Functions

 SpringParams ()
 Default Constructor. More...
 SpringParams (core::Real k_in, core::Real delta_in, core::Size mult_in)
 Constructor with input params. More...
Real energy (core::Real value) const
 getters More...
Real deriv (core::Real value) const
bool is_null () const
Real k () const
Real delta () const
Size multiplicity () const

Private Attributes

Real k_
Real delta_
Size mult_

Detailed Description

Parameter set for one torsion angle.

Stores a set of constants required for enumerating a harmonic function given length/angle as variable. This set of parameters are required for bond-length/-angle/improper torsion (gen_bonded_bond/_angle/_improper) scoring. More descriptions below:

E = k * (x-delta_)**2

E: Energy value x: variable of the function (e.g. bond length, angle, improper torsion angle) mult_: the specificity/generality of a constraint; when there is ambiguity in multiple parameter set, one with lower mult_ is selected

Constructor & Destructor Documentation

core::scoring::SpringParams::SpringParams ( )

Default Constructor.

core::scoring::SpringParams::SpringParams ( core::Real  k_in,
core::Real  delta_in,
core::Size  mult_in 

Constructor with input params.

Member Function Documentation

Real core::scoring::SpringParams::delta ( ) const
Real core::scoring::SpringParams::deriv ( core::Real  value) const
Real core::scoring::SpringParams::energy ( core::Real  value) const
bool core::scoring::SpringParams::is_null ( ) const
Real core::scoring::SpringParams::k ( ) const
Size core::scoring::SpringParams::multiplicity ( ) const

References mult_.

Member Data Documentation

Real core::scoring::SpringParams::delta_

Referenced by delta().

Real core::scoring::SpringParams::k_

Referenced by is_null(), and k().

Size core::scoring::SpringParams::mult_

Referenced by multiplicity().

The documentation for this class was generated from the following files: