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core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer Class Reference

A class for passing data to the trie-vs-trie calculation for hydrogen bonds, without having to cache it in mutable data in the HBondEnergy method or whatnot. More...

#include <HBondsTrieVsTrieCachedDataContainer.hh>

Inheritance diagram for core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer:
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Public Member Functions

 HBondsTrieVsTrieCachedDataContainer ()=delete
 Default constructor. More...
 
 HBondsTrieVsTrieCachedDataContainer (core::scoring::EnergyMap const &setting)
 Weights constructor. More...
 
 HBondsTrieVsTrieCachedDataContainer (HBondsTrieVsTrieCachedDataContainer const &src)
 Copy constructor. More...
 
 ~HBondsTrieVsTrieCachedDataContainer () override
 Destructor. More...
 
core::scoring::trie::TrieVsTrieCachedDataContainerBaseOP clone () const override
 Clone operation: make a copy of this object, and return an owning pointer to the copy. More...
 
void set_rotamer_seq_sep (signed long const setting)
 Set the rotamer sequence separation. More...
 
void set_res1 (core::Size const setting)
 Set residue 1. More...
 
void set_res2 (core::Size const setting)
 Set residue 2. More...
 
void set_res1_nb (core::Size const setting)
 Set residue 1_nb. More...
 
void set_res2_nb (core::Size const setting)
 Set residue 2_nb. More...
 
core::scoring::EnergyMap const & weights () const
 Get the weights vector. More...
 
signed long rotamer_seq_sep () const
 Get the rotamer sequence separation. More...
 
core::Size res1 () const
 Get residue 1. More...
 
core::Size res2 () const
 Get residue 2. More...
 
core::Size res1_nb () const
 Get residue 1_nb. More...
 
core::Size res2_nb () const
 Get residue 2_nb. More...
 
- Public Member Functions inherited from core::scoring::trie::TrieVsTrieCachedDataContainerBase
 TrieVsTrieCachedDataContainerBase ()
 Default constructor. More...
 
 TrieVsTrieCachedDataContainerBase (TrieVsTrieCachedDataContainerBase const &src)
 Copy constructor. More...
 
 ~TrieVsTrieCachedDataContainerBase () override
 Destructor. More...
 

Private Attributes

core::scoring::EnergyMap const * weights_ = nullptr
 
signed long rotamer_seq_sep_ = 0
 
core::Size res1_ = 0
 
core::Size res2_ = 0
 
core::Size res1_nb_ = 0
 
core::Size res2_nb_ = 0
 

Detailed Description

A class for passing data to the trie-vs-trie calculation for hydrogen bonds, without having to cache it in mutable data in the HBondEnergy method or whatnot.

The EnergyMap passed to this object is stored by raw pointer. THIS OBJECT DOES NOT OWN THE ENERGY MAP. Calling code must guarantee that the EnergyMap continues to exist until this object is destroyed. (This is unfortunately needed for speed.)

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

core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::HBondsTrieVsTrieCachedDataContainer ( )
delete

Default constructor.

core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::HBondsTrieVsTrieCachedDataContainer ( core::scoring::EnergyMap const &  setting)
inline

Weights constructor.

core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::HBondsTrieVsTrieCachedDataContainer ( HBondsTrieVsTrieCachedDataContainer const &  src)
default

Copy constructor.

Copy constructor. Keep default unless deep copying is needed (and in that case, consider using DeepCopyOPs.)

core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::~HBondsTrieVsTrieCachedDataContainer ( )
override

Destructor.

Member Function Documentation

core::scoring::trie::TrieVsTrieCachedDataContainerBaseOP core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::clone ( ) const
overridevirtual

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

Implements core::scoring::trie::TrieVsTrieCachedDataContainerBase.

core::Size core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res1 ( ) const
inline
core::Size core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res1_nb ( ) const
inline
core::Size core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res2 ( ) const
inline
core::Size core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res2_nb ( ) const
inline
signed long core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::rotamer_seq_sep ( ) const
inline

Get the rotamer sequence separation.

References rotamer_seq_sep_.

Referenced by core::scoring::hbonds::HBondEnergy::drawn_out_heavyatom_hydrogenatom_energy().

void core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_res1 ( core::Size const  setting)
inline

Set residue 1.

References res1_.

void core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_res1_nb ( core::Size const  setting)
inline

Set residue 1_nb.

References res1_nb_.

void core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_res2 ( core::Size const  setting)
inline

Set residue 2.

References res2_.

void core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_res2_nb ( core::Size const  setting)
inline

Set residue 2_nb.

References res2_nb_.

void core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::set_rotamer_seq_sep ( signed long const  setting)
inline

Set the rotamer sequence separation.

References rotamer_seq_sep_.

core::scoring::EnergyMap const& core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::weights ( ) const
inline

Member Data Documentation

core::Size core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res1_ = 0
private

Referenced by res1(), and set_res1().

core::Size core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res1_nb_ = 0
private

Referenced by res1_nb(), and set_res1_nb().

core::Size core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res2_ = 0
private

Referenced by res2(), and set_res2().

core::Size core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::res2_nb_ = 0
private

Referenced by res2_nb(), and set_res2_nb().

signed long core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::rotamer_seq_sep_ = 0
private
core::scoring::EnergyMap const* core::scoring::hbonds::hbtrie::HBondsTrieVsTrieCachedDataContainer::weights_ = nullptr
private

Referenced by weights().


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