protocols::nmr::pcs::PCSLigandTransformMover::LMMinPCSDataRef Class Reference

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

LMMinPCSDataRef() [1/2]

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

inline

LMMinPCSDataRef() [2/2]

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

inline

Member Data Documentation

atom_xyz_map_

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

pcs_data_

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

xyz_delta_

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

xyz_start_

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

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

• src/protocols/nmr/pcs/PCSLigandTransformMover.hh