DEERData.cc File Reference

Container for DEER experimental data and dataype-specific scoring function 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/EPRSpinLabel.hh>
#include <core/scoring/epr_deer/Simulated4PDEERTrace.hh>
#include <core/scoring/epr_deer/util.hh>
#include <core/types.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <basic/datacache/CacheableData.hh>
#include <basic/Tracer.hh>
#include <utility/exit.hh>
#include <utility/vector1.hh>
#include <utility/VirtualBase.hh>
#include <numeric/constants.hh>
#include <numeric/xyzVector.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/epr_deer.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <string>
#include <set>
#include <map>

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 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 )