Simulated4PDEERTrace.cc File Reference

Class containing simulated DEER dipolar coupling decay data. More...

#include <core/scoring/epr_deer/Simulated4PDEERTrace.hh>
#include <core/types.hh>
#include <basic/Tracer.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/vector1.hh>
#include <map>
#include <tuple>

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

Functions
static basic::Tracer	core::scoring::epr_deer::TR ("core.scoring.epr_deer.Simulated4PDEERTrace")
	Tracer used for error messages. More...

Detailed Description

Class containing simulated DEER dipolar coupling decay data.

Class that simulates the observable signal resulting from electron dipolar coupling.

Author

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

The dipolar coupling signal between two electrons can be simulated from a distance distribution. This class does that simulation by pulling values from the datacache container objects (DEERData) and effectively storing a vector with values of interest.

Author

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