DEERData.cc File Reference

Container for DEER experimental data and dataype-specific scoring function @detail These classes contain the base and derived types for various DEER data containers. The DEERData parent class stores generic information. The DEERDistanceBounds type stores a distance value of interest and evaluates as a harmonic function. The DEERDistanceDistribution type store the data as a probability distribution and tries to maximize overlap. The DEERDecayData type stores the raw data and tries to recapitulate it from the simulated distribution. More...

#include <core/scoring/epr_deer/metrics/DEERData.hh>
#include <core/scoring/epr_deer/util.hh>
#include <core/types.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/epr_deer.OptionKeys.gen.hh>
#include <string>
#include <map>
#include <cmath>

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

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

Detailed Description

Container for DEER experimental data and dataype-specific scoring function @detail These classes contain the base and derived types for various DEER data containers. The DEERData parent class stores generic information. The DEERDistanceBounds type stores a distance value of interest and evaluates as a harmonic function. The DEERDistanceDistribution type store the data as a probability distribution and tries to maximize overlap. The DEERDecayData type stores the raw data and tries to recapitulate it from the simulated distribution.

Author

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