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core::chemical::CacheableResidueTypeSets Class Reference

A (Pose-cacheable) container for ResidueTypeSets. More...

#include <CacheableResidueTypeSets.hh>

Inheritance diagram for core::chemical::CacheableResidueTypeSets:
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Public Member Functions

 CacheableResidueTypeSets ()
 
 CacheableResidueTypeSets (CacheableResidueTypeSets const &src)
 
CacheableResidueTypeSetsoperator= (CacheableResidueTypeSets const &src)
 
 ~CacheableResidueTypeSets () override
 
basic::datacache::CacheableDataOP clone () const override
 
void clear ()
 
bool has_res_type_set (TypeSetMode mode) const
 Do we have a 'mode' ResidueTypeSet already instantiated? More...
 
PoseResidueTypeSetCOP get_res_type_set (TypeSetMode mode=FULL_ATOM_t) const
 Return a ResidueTypeSet of the appropriate type, If one doesn't already exist, return a null pointer. More...
 
PoseResidueTypeSetOP get_res_type_set (TypeSetMode mode=FULL_ATOM_t)
 Return a ResidueTypeSet of the appropriate type, non-const version If one doesn't already exist, return a null pointer. More...
 
void set_res_type_set (PoseResidueTypeSetOP rts, TypeSetMode mode=INVALID_t)
 Replace the current ResidueTypeSet of the given mode with the given RTS. If mode is INVALID_t (the recommended default) the mode will be autodetermined from the rts. More...
 

Private Attributes

utility::vector1< PoseResidueTypeSetOPres_type_sets_
 

Detailed Description

A (Pose-cacheable) container for ResidueTypeSets.

Constructor & Destructor Documentation

◆ CacheableResidueTypeSets() [1/2]

core::chemical::CacheableResidueTypeSets::CacheableResidueTypeSets ( )

◆ CacheableResidueTypeSets() [2/2]

core::chemical::CacheableResidueTypeSets::CacheableResidueTypeSets ( CacheableResidueTypeSets const &  src)

◆ ~CacheableResidueTypeSets()

core::chemical::CacheableResidueTypeSets::~CacheableResidueTypeSets ( )
overridedefault

Member Function Documentation

◆ clear()

void core::chemical::CacheableResidueTypeSets::clear ( )

◆ clone()

basic::datacache::CacheableDataOP core::chemical::CacheableResidueTypeSets::clone ( ) const
override

◆ get_res_type_set() [1/2]

PoseResidueTypeSetOP core::chemical::CacheableResidueTypeSets::get_res_type_set ( TypeSetMode  mode = FULL_ATOM_t)

Return a ResidueTypeSet of the appropriate type, non-const version If one doesn't already exist, return a null pointer.

Return a ResidueTypeSet of the appropriate type, If one doesn't already exist, return a null pointer.

References res_type_sets_, and core::chemical::TYPE_SET_MODES_LENGTH.

◆ get_res_type_set() [2/2]

PoseResidueTypeSetCOP core::chemical::CacheableResidueTypeSets::get_res_type_set ( TypeSetMode  mode = FULL_ATOM_t) const

◆ has_res_type_set()

bool core::chemical::CacheableResidueTypeSets::has_res_type_set ( TypeSetMode  mode) const

Do we have a 'mode' ResidueTypeSet already instantiated?

References res_type_sets_, and core::chemical::TYPE_SET_MODES_LENGTH.

Referenced by protocols::drug_design::ApplyChemistryMover::apply().

◆ operator=()

CacheableResidueTypeSets & core::chemical::CacheableResidueTypeSets::operator= ( CacheableResidueTypeSets const &  src)
default

◆ set_res_type_set()

void core::chemical::CacheableResidueTypeSets::set_res_type_set ( PoseResidueTypeSetOP  rts,
TypeSetMode  mode = INVALID_t 
)

Replace the current ResidueTypeSet of the given mode with the given RTS. If mode is INVALID_t (the recommended default) the mode will be autodetermined from the rts.

Replace the current ResidueTypeSet of the appropriate type with the given RTS.

References core::chemical::INVALID_t, res_type_sets_, and core::chemical::TYPE_SET_MODES_LENGTH.

Referenced by protocols::drug_design::ApplyChemistryMover::apply(), and core::conformation::Conformation::reset_residue_type_set_for_conf().

Member Data Documentation

◆ res_type_sets_

utility::vector1< PoseResidueTypeSetOP > core::chemical::CacheableResidueTypeSets::res_type_sets_
private

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