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protocols::toolbox::match_enzdes_util::EnzdesCstCache Class Reference

a simple class to store the pose specific enzdes constraint information in the actual pose More...

#include <EnzdesCstCache.hh>

Inheritance diagram for protocols::toolbox::match_enzdes_util::EnzdesCstCache:
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Public Member Functions

 EnzdesCstCache (EnzConstraintIOCOP enz_cstio, core::Size num_cst_blocks)
 
 EnzdesCstCache (EnzdesCstCache const &other)
 
 ~EnzdesCstCache () override
 
EnzConstraintIOCOP enzcst_io () const
 
EnzdesCstParamCacheOP param_cache (core::Size cst_block)
 
EnzdesCstParamCacheCOP param_cache (core::Size cst_block) const
 
core::Size ncsts () const
 
void set_param_cache (core::Size cst_block, EnzdesCstParamCacheOP param_cache)
 
bool contains_position (core::Size seqpos) const
 
utility::vector1< core::Sizeordered_constrained_positions (core::pose::Pose const &pose) const
 returns all seqpos present in the cache in order of the params which they are in. note: ligands are explicityly put at the end of the vector More...
 
void remap_resid (core::id::SequenceMapping const &smap)
 remapping sequence positions More...
 

Private Attributes

utility::vector1
< EnzdesCstParamCacheOP
param_cache_
 
EnzConstraintIOCOP enzcst_io_
 

Detailed Description

a simple class to store the pose specific enzdes constraint information in the actual pose

Constructor & Destructor Documentation

protocols::toolbox::match_enzdes_util::EnzdesCstCache::EnzdesCstCache ( EnzConstraintIOCOP  enz_cstio,
core::Size  num_cst_blocks 
)

References param_cache_.

protocols::toolbox::match_enzdes_util::EnzdesCstCache::EnzdesCstCache ( EnzdesCstCache const &  other)

References param_cache_.

protocols::toolbox::match_enzdes_util::EnzdesCstCache::~EnzdesCstCache ( )
overridedefault

Member Function Documentation

bool protocols::toolbox::match_enzdes_util::EnzdesCstCache::contains_position ( core::Size  seqpos) const

References ncsts(), and param_cache().

EnzConstraintIOCOP protocols::toolbox::match_enzdes_util::EnzdesCstCache::enzcst_io ( ) const

References enzcst_io_.

core::Size protocols::toolbox::match_enzdes_util::EnzdesCstCache::ncsts ( ) const
inline

References param_cache_.

Referenced by contains_position().

utility::vector1< core::Size > protocols::toolbox::match_enzdes_util::EnzdesCstCache::ordered_constrained_positions ( core::pose::Pose const &  pose) const

returns all seqpos present in the cache in order of the params which they are in. note: ligands are explicityly put at the end of the vector

References core::chemical::ResidueType::is_ligand(), param_cache_, and core::pose::Pose::residue_type().

EnzdesCstParamCacheOP protocols::toolbox::match_enzdes_util::EnzdesCstCache::param_cache ( core::Size  cst_block)

References param_cache_.

Referenced by contains_position(), and set_param_cache().

EnzdesCstParamCacheCOP protocols::toolbox::match_enzdes_util::EnzdesCstCache::param_cache ( core::Size  cst_block) const

References param_cache_.

void protocols::toolbox::match_enzdes_util::EnzdesCstCache::remap_resid ( core::id::SequenceMapping const &  smap)

remapping sequence positions

References param_cache_.

void protocols::toolbox::match_enzdes_util::EnzdesCstCache::set_param_cache ( core::Size  cst_block,
EnzdesCstParamCacheOP  param_cache 
)

References param_cache(), and param_cache_.

Member Data Documentation

EnzConstraintIOCOP protocols::toolbox::match_enzdes_util::EnzdesCstCache::enzcst_io_
private

Referenced by enzcst_io().

utility::vector1< EnzdesCstParamCacheOP > protocols::toolbox::match_enzdes_util::EnzdesCstCache::param_cache_
private

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