protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary Class Reference

A class for storing the PNear, Keq, and DeltaG_folding values to an arbitrary state that has been sampled. More...

#include <HierarchicalHybridJD_PNearToArbitraryStateSummary.hh>

Inheritance diagram for protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary:

Public Member Functions
	HierarchicalHybridJD_PNearToArbitraryStateSummary ()=delete
	Default constructor (explicitly deleted). More...
	HierarchicalHybridJD_PNearToArbitraryStateSummary (core::Real const pnear, core::Real const Keq, core::Real const deltaG_folding, core::Size const originating_mpi_node, core::Size const jobindex_on_originating_node)
	Options constructor. More...
	~HierarchicalHybridJD_PNearToArbitraryStateSummary () override
	Destructor. More...
HierarchicalHybridJD_PNearToArbitraryStateSummaryOP	clone () const
	Clone operation: make a copy of this object, and return an owning pointer to the copy. More...
core::Real	pnear () const
	Access the PNear value. More...
core::Real	Keq () const
	Access the PNfolding equilibtrium constant value. More...
core::Real	deltaG_folding () const
	Access the Delta-G of folding value. More...
core::Size	originating_mpi_node () const
	Access the index of the originating MPI node. More...
core::Size	jobindex_on_originating_node () const
	Access the job index on the originating node. More...

Private Attributes
core::Real	pnear_ = 0.0
	The PNear value. More...
core::Real	Keq_ = 0.0
	The folding equilbrium constant. More...
core::Real	deltaG_folding_ = 0.0
	The Delta-G of folding. More...
core::Size	originating_mpi_node_ = 0
	The MPI node that originated this structure. More...
core::Size	jobindex_on_originating_node_ = 0
	The job index on the originating node. More...

Detailed Description

A class for storing the PNear, Keq, and DeltaG_folding values to an arbitrary state that has been sampled.

Author

Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org)

Constructor & Destructor Documentation

protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::HierarchicalHybridJD_PNearToArbitraryStateSummary ( )

delete

Default constructor (explicitly deleted).

protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::HierarchicalHybridJD_PNearToArbitraryStateSummary	(	core::Real const	pnear,
		core::Real const	Keq,
		core::Real const	deltaG_folding,
		core::Size const	originating_mpi_node,
		core::Size const	jobindex_on_originating_node
	)

Options constructor.

References deltaG_folding(), deltaG_folding_, jobindex_on_originating_node(), jobindex_on_originating_node_, Keq(), Keq_, originating_mpi_node(), originating_mpi_node_, pnear(), and pnear_.

protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::~HierarchicalHybridJD_PNearToArbitraryStateSummary ( )

overridedefault

Destructor.

Member Function Documentation

HierarchicalHybridJD_PNearToArbitraryStateSummaryOP protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::clone

(

)

const

Clone operation: make a copy of this object, and return an owning pointer to the copy.

core::Real protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::deltaG_folding ( ) const

inline

Access the Delta-G of folding value.

References deltaG_folding_.

Referenced by HierarchicalHybridJD_PNearToArbitraryStateSummary().

core::Size protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::jobindex_on_originating_node ( ) const

inline

Access the job index on the originating node.

References jobindex_on_originating_node_.

Referenced by HierarchicalHybridJD_PNearToArbitraryStateSummary().

core::Real protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::Keq ( ) const

inline

Access the PNfolding equilibtrium constant value.

References Keq_.

Referenced by HierarchicalHybridJD_PNearToArbitraryStateSummary().

core::Size protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::originating_mpi_node ( ) const

inline

Access the index of the originating MPI node.

References originating_mpi_node_.

Referenced by HierarchicalHybridJD_PNearToArbitraryStateSummary().

core::Real protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::pnear ( ) const

inline

Access the PNear value.

References pnear_.

Referenced by HierarchicalHybridJD_PNearToArbitraryStateSummary().

Member Data Documentation

core::Real protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::deltaG_folding_ = 0.0

private

The Delta-G of folding.

Referenced by deltaG_folding(), and HierarchicalHybridJD_PNearToArbitraryStateSummary().

core::Size protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::jobindex_on_originating_node_ = 0

private

The job index on the originating node.

Referenced by HierarchicalHybridJD_PNearToArbitraryStateSummary(), and jobindex_on_originating_node().

core::Real protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::Keq_ = 0.0

private

The folding equilbrium constant.

Referenced by HierarchicalHybridJD_PNearToArbitraryStateSummary(), and Keq().

core::Size protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::originating_mpi_node_ = 0

private

The MPI node that originated this structure.

Referenced by HierarchicalHybridJD_PNearToArbitraryStateSummary(), and originating_mpi_node().

core::Real protocols::cyclic_peptide_predict::HierarchicalHybridJD_PNearToArbitraryStateSummary::pnear_ = 0.0

private

The PNear value.

Referenced by HierarchicalHybridJD_PNearToArbitraryStateSummary(), and pnear().

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

• src/protocols/cyclic_peptide_predict/HierarchicalHybridJD_PNearToArbitraryStateSummary.hh
• src/protocols/cyclic_peptide_predict/HierarchicalHybridJD_PNearToArbitraryStateSummary.cc