IterativeOptEDriver.hh File Reference

A class for optimizing weights in an iterative weight fitting, sequence recovery test protocol. More...

#include <protocols/optimize_weights/IterativeOptEDriver.fwd.hh>
#include <core/types.hh>
#include <core/chemical/AA.hh>
#include <core/optimization/types.hh>
#include <core/pack/task/TaskFactory.fwd.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <protocols/optimize_weights/OptEData.fwd.hh>
#include <iostream>
#include <core/pose/Pose.fwd.hh>
#include <protocols/optimize_weights/OptEMultifunc.fwd.hh>

Classes
class	protocols::optimize_weights::IterativeOptEDriver

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::optimize_weights

Enumerations
enum	protocols::optimize_weights::AddStatus { protocols::optimize_weights::ADDED_STRUCTURE_AS_INTENDED, protocols::optimize_weights::ADDED_STRUCTURE_OPPOSITE_AS_INTENDED, protocols::optimize_weights::DID_NOT_ADD_STRUCTURE }

Functions
void	protocols::optimize_weights::load_component_weights (utility::vector1< core::Real > &component_weights)
	Read options[ optE::component_weights ] file from input file. Not a member of the above driver class since its independent of the driver; possibly belongs in a separate source file. Any component specified in the weights file is set to the corresponding weight. Any component not specified in the weights file is set to 1. More...

Detailed Description

A class for optimizing weights in an iterative weight fitting, sequence recovery test protocol.

Author

Andrew Leaver-Fay – emulating a protocol by Jim Havranek and Brian Kuhlman.