DEEREnergyCreator.hh File Reference

Parent class for DEEREnergy structure. More...

#include <core/scoring/methods/EnergyMethodCreator.hh>
#include <core/types.hh>
#include <utility/vector1.hh>

Classes
class	core::energy_methods::DEEREnergyCreator

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

Detailed Description

Parent class for DEEREnergy structure.

To prevent the energy method from reading from the command line every scoring round and parsing the input file, this method constructs a faux-graph of DEER decay data. The "nodes" are the residues for which at least one set of data is provided, and the "edges" correspond to data sets for two residues. NOTE: There is a graph class in src/utility but it is unnecessarily heavy. Instead this class uses maps

Author

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