Rosetta Core  2014.35
Public Member Functions | Private Attributes | List of all members
core::chemical::Selector_UPPER_POSITION Class Reference

Does the main chain of this residue follow from the given position label? More...

#include <ResidueSelector.hh>

Public Member Functions

 Selector_UPPER_POSITION (uint const position, bool const result)
 
bool operator[] (ResidueType const &rsd) const
 Select by the position at which the upper connection is attached. More...
 
- Public Member Functions inherited from core::chemical::ResidueSelectorSingle
virtual ~ResidueSelectorSingle ()
 Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
 
 ResidueSelectorSingle (bool const result)
 
bool desired_result () const
 

Private Attributes

uint position_
 

Detailed Description

Does the main chain of this residue follow from the given position label?

By position, it is meant the single digit integer by which atoms are labeled to indicate their position. For example, if an upper connection is from C8 of a generic residue, the position is 8.

Remarks
This selector was added primarily for use with carbohydrate residues, which have a wide assortment of main- chain designations. To properly patch upper terminus variants, it is necessary to know which atoms need to be added and, particularly, at which position to add them. However, this selector could be adapted for any residue subclass that contains variability in the main chain, provided the nomenclature is consistent and numerical. See patches/carbohydrates/upper_terminus.txt for an example of use.
Author
Labonte

Constructor & Destructor Documentation

core::chemical::Selector_UPPER_POSITION::Selector_UPPER_POSITION ( uint const  position,
bool const  result 
)
inline

Member Function Documentation

bool core::chemical::Selector_UPPER_POSITION::operator[] ( ResidueType const &  rsd) const
inlinevirtual

Select by the position at which the upper connection is attached.

Note
This is currently written to work only with carbohydrates, since only carbohydrates store their main- chain position. If needed for another residue subclass, one would need to modify this method. OR, it would be better to create a datum for storing the main-chain position in ResidueType.

Implements core::chemical::ResidueSelectorSingle.

References core::chemical::ResidueType::carbohydrate_info(), core::chemical::ResidueSelectorSingle::desired_result(), core::chemical::ResidueType::is_carbohydrate(), and position_.

Member Data Documentation

uint core::chemical::Selector_UPPER_POSITION::position_
private

Referenced by operator[]().


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