protocols::cyclic_peptide_predict::HierarchicalHybridJD_RMSDToBestSummary Class Reference

A small helper class used by the HierarchicalHybridJDApplication class for transmitting RMSD information up the MPI hierarchy. More...

#include <HierarchicalHybridJD_RMSDToBestSummary.hh>

Inheritance diagram for protocols::cyclic_peptide_predict::HierarchicalHybridJD_RMSDToBestSummary:

Public Member Functions
	HierarchicalHybridJD_RMSDToBestSummary ()=default
	Default constructor. More...
	HierarchicalHybridJD_RMSDToBestSummary (int const originating_node_MPI_rank, core::Size const jobindex_on_originating_node, core::Real const &rmsd_to_best)
	Options constructor/. More...
	HierarchicalHybridJD_RMSDToBestSummary (HierarchicalHybridJD_RMSDToBestSummary const &)=default
	Copy constructor. More...
HierarchicalHybridJD_ResultsSummaryBaseOP	clone () const override
	Clone operation: make a copy of this object, and return an owning pointer to the copy. More...
core::Real const &	rmsd_to_best () const
	Get the RMSD to the best structure. More...
void	set_rmsd_to_best (core::Real const &setting)
Public Member Functions inherited from protocols::cyclic_peptide_predict::HierarchicalHybridJD_ResultsSummaryBase
	HierarchicalHybridJD_ResultsSummaryBase ()=default
	Default constructor. More...
	HierarchicalHybridJD_ResultsSummaryBase (HierarchicalHybridJD_ResultsSummaryBase const &)=default
	Copy constructor. More...
	HierarchicalHybridJD_ResultsSummaryBase (int const originating_node_MPI_rank, core::Size const jobindex_on_originating_node)
	Constructor with options. More...
int	originating_node_MPI_rank () const
	-------—— Getters -------------------------—— More...
core::Size	jobindex_on_originating_node () const
	Get the local index of the job on the node on which it was carried out. More...
utility::vector1< int > const &	MPI_ranks_handling_message () const
	Get the list of procs that transmitted this JobResultsSummary. More...
void	set_originating_node_MPI_rank (int const rank)
	-------—— Setters -------------------------—— More...
void	set_jobindex_on_originating_node (core::Size const index)
	Set the local index of the job on the node on which it was carried out. More...
void	add_MPI_rank_handling_message (int const new_proc)
	Add a proc that handled this message to the list of procs that transmitted this JobResultsSummary. More...

Private Attributes
core::Real	rmsd_to_best_ = 0.0
	The RMSD to the best structure. More...

Detailed Description

A small helper class used by the HierarchicalHybridJDApplication class for transmitting RMSD information up the MPI hierarchy.

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_RMSDToBestSummary::HierarchicalHybridJD_RMSDToBestSummary ( )

default

Default constructor.

protocols::cyclic_peptide_predict::HierarchicalHybridJD_RMSDToBestSummary::HierarchicalHybridJD_RMSDToBestSummary	(	int const	originating_node_MPI_rank,
		core::Size const	jobindex_on_originating_node,
		core::Real const &	rmsd_to_best
	)

Options constructor/.

protocols::cyclic_peptide_predict::HierarchicalHybridJD_RMSDToBestSummary::HierarchicalHybridJD_RMSDToBestSummary ( HierarchicalHybridJD_RMSDToBestSummary const &  )

default

Copy constructor.

Member Function Documentation

HierarchicalHybridJD_ResultsSummaryBaseOP protocols::cyclic_peptide_predict::HierarchicalHybridJD_RMSDToBestSummary::clone ( ) const

overridevirtual

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

Implements protocols::cyclic_peptide_predict::HierarchicalHybridJD_ResultsSummaryBase.

core::Real const& protocols::cyclic_peptide_predict::HierarchicalHybridJD_RMSDToBestSummary::rmsd_to_best ( ) const

inline

Get the RMSD to the best structure.

References rmsd_to_best_.

void protocols::cyclic_peptide_predict::HierarchicalHybridJD_RMSDToBestSummary::set_rmsd_to_best ( core::Real const &  setting )

inline

References rmsd_to_best_.

Member Data Documentation

core::Real protocols::cyclic_peptide_predict::HierarchicalHybridJD_RMSDToBestSummary::rmsd_to_best_ = 0.0

private

The RMSD to the best structure.

Referenced by rmsd_to_best(), and set_rmsd_to_best().

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

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