Utility class of PCSLigandTransformMover which holds references to PCSData used in lmmin (Levenberg Marquardt minimization) function. More...

Public Member Functions
	LMMinPCSDataRef ()

	LMMinPCSDataRef (PCSData const data, std::map< core::Size, Vector > const map, Vector const *start, Real delta)

Public Attributes
PCSData const *	pcs_data_

std::map< core::Size, Vector > const *	atom_xyz_map_

Vector const *	xyz_start_

Real	xyz_delta_

Detailed Description

Utility class of PCSLigandTransformMover which holds references to PCSData used in lmmin (Levenberg Marquardt minimization) function.

Constructor & Destructor Documentation

protocols::nmr::pcs::PCSLigandTransformMover::LMMinPCSDataRef::LMMinPCSDataRef ( )

inline

protocols::nmr::pcs::PCSLigandTransformMover::LMMinPCSDataRef::LMMinPCSDataRef	(	PCSData const *	data,
		std::map< core::Size, Vector > const *	map,
		Vector const *	start,
		Real	delta
	)

inline

std::map<core::Size,Vector> const* protocols::nmr::pcs::PCSLigandTransformMover::LMMinPCSDataRef::atom_xyz_map_

PCSData const* protocols::nmr::pcs::PCSLigandTransformMover::LMMinPCSDataRef::pcs_data_

Real protocols::nmr::pcs::PCSLigandTransformMover::LMMinPCSDataRef::xyz_delta_

Vector const* protocols::nmr::pcs::PCSLigandTransformMover::LMMinPCSDataRef::xyz_start_

The documentation for this class was generated from the following file: