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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:
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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 
)
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().


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