Detailed Description

range and k parameters for npctransport::SitesPairScore, including some useful cached values

Definition at line 23 of file SitesPairScoreParameters.h.

Public Member Functions
	SitesPairScoreParameters (double range, double k_coefficient, double sigma1_max_deg=0.0, double sigma2_max_deg=0.0)

void	set_force_coefficient (double k)

void	set_range (double r)

void	set_sigma1_max (double sigma1_max_deg)

void	set_sigma2_max (double sigma2_max_deg)

void	show (std::ostream &out=std::cout) const

void	update_is_orientational ()

Constructor & Destructor Documentation

IMP::npctransport::SitesPairScoreParameters::SitesPairScoreParameters	(	double	range,
		double	k_coefficient,
		double	sigma1_max_deg = `0.0`,
		double	sigma2_max_deg = `0.0`
	)

initiates structure based on passed range and k params

Parameters

range	range of attraction in A
k_coefficient	k in units of kCal/mol/A or kCal/mol/A^2 (for isotropic and anisotropic, respectively - isotropic when either sigma_max is 0.0)
sigma1_max	maximal angle for site 1 (0.0 if isotropic interaction)
sigma2_max	maximal angle for site 2 (0.0 if isotropic interaction)

Definition at line 42 of file SitesPairScoreParameters.h.

The documentation for this struct was generated from the following file: