DEERIO.hh File Reference

IO class for data obtained with double electron-electron resonance (DEER) More...

#include <core/scoring/epr_deer/metrics/DEERData.hh>
#include <core/scoring/epr_deer/DEERIO.fwd.hh>
#include <core/scoring/epr_deer/EPRSpinLabel.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <numeric/xyzVector.hh>
#include <basic/Tracer.hh>
#include <utility/fixedsizearray1.hh>
#include <iosfwd>
#include <string>

Classes
class	core::scoring::epr_deer::DEERIO

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

Typedefs
using	core::scoring::epr_deer::SplitLine = utility::vector1< std::string >
using	core::scoring::epr_deer::SplitLines = utility::vector1< SplitLine >
using	core::scoring::epr_deer::SplitLineMap = std::map< std::string, SplitLines >
using	core::scoring::epr_deer::PairSizeString = std::pair< Size, std::string >
	Alias to asve space when defining residues and spin labels. More...

Variables
static std::map< Size, metrics::DEERDataOP >	core::scoring::epr_deer::epr_deer_input_data_

Detailed Description

IO class for data obtained with double electron-electron resonance (DEER)

This class is only called once at the beginning of the application by the energy method. It then parses the input file and the electron coordinate file. The input file is then used to create a "map" (essentially a fake graph) which then becomes the basis of the DEERData object.