Rosetta Core  2014.35
Public Member Functions | Private Attributes | List of all members
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

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().


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