Rosetta  2021.16
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DEERDataCache.cc File Reference

Contains data for DEER energy method, stored as DEERData objects. More...

#include <core/scoring/epr_deer/DEERIO.hh>
#include <core/scoring/epr_deer/DEERDataCache.hh>
#include <core/scoring/epr_deer/EPRSpinLabel.hh>
#include <core/scoring/epr_deer/metrics/DEERData.hh>
#include <core/pose/Pose.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <core/types.hh>
#include <basic/datacache/CacheableData.hh>
#include <basic/datacache/CacheableData.fwd.hh>
#include <basic/Tracer.hh>
#include <utility/excn/Exceptions.hh>
#include <string>
#include <set>

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.metrics.DEERDataCache")
 Tracer used for error messages. More...
 

Detailed Description

Contains data for DEER energy method, stored as DEERData objects.

To prevent the energy method from reading from the command line every scoring round and parsing the input file, this method stores a list of DEER decay data.

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