DEERDistanceBounds.hh File Reference

Container for DEER experimental data and dataype-specific scoring function This class contains upper and lower bounds for experimental DEER data using a harmonic function. More...

#include <core/scoring/epr_deer/metrics/DEERData.hh>
#include <core/scoring/epr_deer/metrics/DEERDistanceBounds.fwd.hh>
#include <core/types.hh>
#include <utility/vector1.hh>
#include <utility/VirtualBase.hh>
#include <string>
#include <map>

Classes
class	core::scoring::epr_deer::metrics::DEERDistanceBounds
	Derived class for storing the data as a bounded function. Contains the upper and lower bounds, as well as steepness. If the average simulated distance falls within these bounds the score is zero If the average falls outside, it is evaluated via the steepness For example: ( ( lb - d ) / s ) ^2 OR ( ( d - ub ) / s ) ^2 lb: Lower bound ub: Upper bound d: Avg distance s: Steepness. More...

Namespaces
	core
	A class for reading in the atom type properties.
	core::scoring
	core::scoring::epr_deer
	core::scoring::epr_deer::metrics

Detailed Description

Container for DEER experimental data and dataype-specific scoring function This class contains upper and lower bounds for experimental DEER data using a harmonic function.

Author

Diego del Alamo ( del.a.nosp@m.lamo.nosp@m.@vand.nosp@m.erbi.nosp@m.lt.ed.nosp@m.u )