core::chemical::AddChi Class Reference

Add a chi angle to ResidueType. More...

#include <PatchOperation.hh>

Public Member Functions
	AddChi (Size const &chino_in, std::string const &atom1_in, std::string const &atom2_in, std::string const &atom3_in, std::string const &atom4_in)
	Constructor for when the chi index is specified. More...
	AddChi (std::string const &atom1_in, std::string const &atom2_in, std::string const &atom3_in, std::string const &atom4_in)
	Constructor for when the chi index is not specified. More...
bool	apply (ResidueType &rsd) const
	Add a chi angle. More...
Public Member Functions inherited from core::chemical::PatchOperation
virtual	~PatchOperation ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...

Private Attributes
bool	no_index_
Size	chino_
std::string	atom1_
std::string	atom2_
std::string	atom3_
std::string	atom4_

Detailed Description

Add a chi angle to ResidueType.

Author

Added by Andy M. Chen in June 2009

This is needed for PTMs, which often result in one or more extra chi angles.

Constructor & Destructor Documentation

core::chemical::AddChi::AddChi	(	Size const &	chino_in,
		std::string const &	atom1_in,
		std::string const &	atom2_in,
		std::string const &	atom3_in,
		std::string const &	atom4_in
	)

Constructor for when the chi index is specified.

core::chemical::AddChi::AddChi	(	std::string const &	atom1_in,
		std::string const &	atom2_in,
		std::string const &	atom3_in,
		std::string const &	atom4_in
	)

Constructor for when the chi index is not specified.

In this case, the new chi will be added to the end of the list when this operation is applied.

Author

Labonte

Member Function Documentation

bool core::chemical::AddChi::apply ( ResidueType &  rsd ) const

virtual

Add a chi angle.

Implements core::chemical::PatchOperation.

References core::chemical::ResidueType::add_chi(), atom1_, atom2_, atom3_, atom4_, chino_, core::chemical::ResidueType::has(), core::chemical::ResidueType::name(), no_index_, and core::chemical::TR_PatchOperations.

Member Data Documentation

std::string core::chemical::AddChi::atom1_

private

Referenced by apply().

std::string core::chemical::AddChi::atom2_

private

Referenced by apply().

std::string core::chemical::AddChi::atom3_

private

Referenced by apply().

std::string core::chemical::AddChi::atom4_

private

Referenced by apply().

Size core::chemical::AddChi::chino_

private

Referenced by apply().

bool core::chemical::AddChi::no_index_

private

Referenced by apply().

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

• symlinks/rosetta/src/core/chemical/PatchOperation.hh
• symlinks/rosetta/src/core/chemical/PatchOperation.cc