protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation Class Reference

#include <LimitAromaChi2Operation.hh>

Inheritance diagram for protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation:

Collaboration diagram for protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation:

Public Types
typedef core::Real	Real
typedef core::pose::Pose	Pose
typedef core::pack::task::PackerTask	PackerTask
typedef core::pack::task::PackerTaskCOP	PackerTaskCOP
typedef core::pack::rotamer_set::RotamerSet	RotamerSet
typedef core::pack::rotamer_set::Rotamers	Rotamers
typedef core::scoring::ScoreFunction	ScoreFunction
typedef core::graph::GraphCOP	GraphCOP
typedef core::pack::rotamer_set::RotamerSetOperationOP	RotamerSetOperationOP

Public Member Functions
	LimitAromaChi2_RotamerSetOperation ()
	LimitAromaChi2_RotamerSetOperation (Real const chi2max, Real const chi2min)
virtual	~LimitAromaChi2_RotamerSetOperation ()
virtual RotamerSetOperationOP	clone () const
virtual void	alter_rotamer_set (Pose const &, ScoreFunction const &, PackerTask const &ptask, GraphCOP, RotamerSet &rotamer_set)
void	chi2max (Real const r)
	max chi2 for picking rotamers of YFH More...
void	chi2min (Real const r)
	min chi2 for picking rotamers of YFH More...
void	include_trp (bool const b)
	include TRP ? More...
Public Member Functions inherited from core::pack::rotamer_set::RotamerSetOperation
	RotamerSetOperation ()
virtual	~RotamerSetOperation ()
virtual Real	increase_packer_residue_radius (pose::Pose const &pose, task::PackerTaskCOP the_task, core::Size residue_in) const

Private Attributes
Real	chi2max_
	max chi2 for picking rotamers of YFH More...
Real	chi2min_
	min chi2 for picking rotamers of YFH More...
bool	include_trp_
	include TRP ? ( default false ) More...

Detailed Description

Definition at line 44 of file LimitAromaChi2Operation.hh.

Member Typedef Documentation

typedef core::graph::GraphCOP protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::GraphCOP

Definition at line 56 of file LimitAromaChi2Operation.hh.

typedef core::pack::task::PackerTask protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::PackerTask

Definition at line 51 of file LimitAromaChi2Operation.hh.

typedef core::pack::task::PackerTaskCOP protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::PackerTaskCOP

Definition at line 52 of file LimitAromaChi2Operation.hh.

typedef core::pose::Pose protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::Pose

Definition at line 50 of file LimitAromaChi2Operation.hh.

typedef core::Real protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::Real

Definition at line 49 of file LimitAromaChi2Operation.hh.

typedef core::pack::rotamer_set::Rotamers protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::Rotamers

Definition at line 54 of file LimitAromaChi2Operation.hh.

typedef core::pack::rotamer_set::RotamerSet protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::RotamerSet

Definition at line 53 of file LimitAromaChi2Operation.hh.

typedef core::pack::rotamer_set::RotamerSetOperationOP protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::RotamerSetOperationOP

Definition at line 57 of file LimitAromaChi2Operation.hh.

typedef core::scoring::ScoreFunction protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::ScoreFunction

Definition at line 55 of file LimitAromaChi2Operation.hh.

Constructor & Destructor Documentation

protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::LimitAromaChi2_RotamerSetOperation

(

)

Definition at line 44 of file LimitAromaChi2Operation.cc.

Referenced by clone().

protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::LimitAromaChi2_RotamerSetOperation	(	Real const	chi2max,
		Real const	chi2min
	)

Definition at line 51 of file LimitAromaChi2Operation.cc.

protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::~LimitAromaChi2_RotamerSetOperation ( )

virtual

Definition at line 58 of file LimitAromaChi2Operation.cc.

Member Function Documentation

void protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::alter_rotamer_set ( Pose const &  , ScoreFunction const &  , PackerTask const &  ptask, GraphCOP  , RotamerSet &  rotamer_set  )

virtual

Implements core::pack::rotamer_set::RotamerSetOperation.

Definition at line 67 of file LimitAromaChi2Operation.cc.

References core::chemical::aa_his, core::chemical::aa_phe, core::chemical::aa_trp, core::chemical::aa_tyr, core::pack::rotamer_set::RotamerSet::begin(), chi2max_, chi2min_, core::pack::rotamer_set::RotamerSet::drop_rotamers(), core::pack::rotamer_set::RotamerSet::end(), core::pack::rotamer_set::RotamerSet::id_for_current_rotamer(), include_trp_, and core::pack::rotamer_set::RotamerSet::num_rotamers().

void protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::chi2max ( Real const  r)

inline

max chi2 for picking rotamers of YFH

Definition at line 87 of file LimitAromaChi2Operation.hh.

References chi2max_.

void protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::chi2min ( Real const  r)

inline

min chi2 for picking rotamers of YFH

Definition at line 93 of file LimitAromaChi2Operation.hh.

References chi2min_.

core::pack::rotamer_set::RotamerSetOperationOP protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::clone ( ) const

virtual

Implements core::pack::rotamer_set::RotamerSetOperation.

Definition at line 61 of file LimitAromaChi2Operation.cc.

References LimitAromaChi2_RotamerSetOperation().

void protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::include_trp ( bool const  b)

inline

include TRP ?

Definition at line 99 of file LimitAromaChi2Operation.hh.

References protocols::match::upstream::b, and include_trp_.

Member Data Documentation

Real protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::chi2max_

private

max chi2 for picking rotamers of YFH

Definition at line 107 of file LimitAromaChi2Operation.hh.

Referenced by alter_rotamer_set(), and chi2max().

Real protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::chi2min_

private

min chi2 for picking rotamers of YFH

Definition at line 110 of file LimitAromaChi2Operation.hh.

Referenced by alter_rotamer_set(), and chi2min().

bool protocols::toolbox::task_operations::LimitAromaChi2_RotamerSetOperation::include_trp_

private

include TRP ? ( default false )

Definition at line 123 of file LimitAromaChi2Operation.hh.

Referenced by alter_rotamer_set(), and include_trp().

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

• src/protocols/toolbox/task_operations/LimitAromaChi2Operation.hh
• src/protocols/toolbox/task_operations/LimitAromaChi2Operation.cc