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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:
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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().


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