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:

Collaboration diagram for protocols::toolbox::match_enzdes_util::EnzdesCstCache:

Public Member Functions
	EnzdesCstCache (EnzConstraintIOCOP enz_cstio, core::Size num_cst_blocks)
	EnzdesCstCache (EnzdesCstCache const &other)
virtual	~EnzdesCstCache ()
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::Size >	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 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

Definition at line 48 of file EnzdesCstCache.hh.

Constructor & Destructor Documentation

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

Definition at line 41 of file EnzdesCstCache.cc.

References param_cache_.

protocols::toolbox::match_enzdes_util::EnzdesCstCache::EnzdesCstCache

(

EnzdesCstCache const &

other)

Definition at line 52 of file EnzdesCstCache.cc.

References param_cache_.

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

virtual

Definition at line 61 of file EnzdesCstCache.cc.

Member Function Documentation

bool protocols::toolbox::match_enzdes_util::EnzdesCstCache::contains_position

(

core::Size

seqpos)

const

Definition at line 99 of file EnzdesCstCache.cc.

References ncsts(), and param_cache().

EnzConstraintIOCOP protocols::toolbox::match_enzdes_util::EnzdesCstCache::enzcst_io

(

)

const

Definition at line 64 of file EnzdesCstCache.cc.

References enzcst_io_.

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

inline

Definition at line 75 of file EnzdesCstCache.hh.

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

Definition at line 109 of file EnzdesCstCache.cc.

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)

Definition at line 70 of file EnzdesCstCache.cc.

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

Definition at line 78 of file EnzdesCstCache.cc.

References param_cache_.

void protocols::toolbox::match_enzdes_util::EnzdesCstCache::remap_resid

(

core::id::SequenceMapping const &

smap)

remapping sequence positions

Definition at line 144 of file EnzdesCstCache.cc.

References param_cache_.

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

Definition at line 90 of file EnzdesCstCache.cc.

References param_cache(), and param_cache_.

Member Data Documentation

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

private

Definition at line 100 of file EnzdesCstCache.hh.

Referenced by enzcst_io().

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

private

Definition at line 99 of file EnzdesCstCache.hh.

Referenced by EnzdesCstCache(), ncsts(), ordered_constrained_positions(), param_cache(), remap_resid(), and set_param_cache().

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

• src/protocols/toolbox/match_enzdes_util/EnzdesCstCache.hh
• src/protocols/toolbox/match_enzdes_util/EnzdesCstCache.cc