core::io::PositionDdGInfo::PositionDdGInfo Class Reference

small helper class that stores the ddGs for mutations at a given position. camel case gets weird when trying to write words containing ddG... More...

#include <PositionDdGInfo.hh>

Inheritance diagram for core::io::PositionDdGInfo::PositionDdGInfo:

Collaboration diagram for core::io::PositionDdGInfo::PositionDdGInfo:

Public Member Functions
	PositionDdGInfo (core::Size seqpos, core::chemical::AA wt_aa)
virtual	~PositionDdGInfo ()
void	add_mutation_ddG (core::chemical::AA aa, core::Real ddG)
core::Size	seqpos () const
core::chemical::AA	wt_aa () const
std::map< core::chemical::AA, core::Real > const &	mutation_ddGs () const

Private Attributes
core::Size	seqpos_
core::chemical::AA	wt_aa_
std::map< core::chemical::AA, core::Real >	mutation_ddGs_

Detailed Description

small helper class that stores the ddGs for mutations at a given position. camel case gets weird when trying to write words containing ddG...

Definition at line 42 of file PositionDdGInfo.hh.

Constructor & Destructor Documentation

core::io::PositionDdGInfo::PositionDdGInfo::PositionDdGInfo	(	core::Size	seqpos,
		core::chemical::AA	wt_aa
	)

Definition at line 66 of file PositionDdGInfo.cc.

core::io::PositionDdGInfo::PositionDdGInfo::~PositionDdGInfo ( )

virtual

Definition at line 74 of file PositionDdGInfo.cc.

Member Function Documentation

void core::io::PositionDdGInfo::PositionDdGInfo::add_mutation_ddG	(	core::chemical::AA	aa,
		core::Real	ddG
	)

doesn't check whether something for this mutation already exists, so previously added stuff will be overwritten

Definition at line 79 of file PositionDdGInfo.cc.

References mutation_ddGs_.

std::map< core::chemical::AA, core::Real > const& core::io::PositionDdGInfo::PositionDdGInfo::mutation_ddGs ( ) const

inline

Definition at line 68 of file PositionDdGInfo.hh.

Referenced by protocols::toolbox::task_operations::RestrictConservedLowDdgOperation::position_ala_ddG(), and protocols::toolbox::task_operations::RestrictConservedLowDdgOperation::position_untouchable().

core::Size core::io::PositionDdGInfo::PositionDdGInfo::seqpos ( ) const

inline

Definition at line 60 of file PositionDdGInfo.hh.

core::chemical::AA core::io::PositionDdGInfo::PositionDdGInfo::wt_aa ( ) const

inline

Definition at line 64 of file PositionDdGInfo.hh.

Referenced by protocols::toolbox::task_operations::RestrictConservedLowDdgOperation::position_untouchable().

Member Data Documentation

std::map< core::chemical::AA, core::Real > core::io::PositionDdGInfo::PositionDdGInfo::mutation_ddGs_

private

Definition at line 75 of file PositionDdGInfo.hh.

Referenced by add_mutation_ddG().

core::Size core::io::PositionDdGInfo::PositionDdGInfo::seqpos_

private

Definition at line 73 of file PositionDdGInfo.hh.

core::chemical::AA core::io::PositionDdGInfo::PositionDdGInfo::wt_aa_

private

Definition at line 74 of file PositionDdGInfo.hh.

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

• src/core/io/ddg/PositionDdGInfo.hh
• src/core/io/ddg/PositionDdGInfo.cc