core::chemical::Selector_UPPER_ATOM Class Reference

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

#include <ResidueTypeSelector.hh>

Inheritance diagram for core::chemical::Selector_UPPER_ATOM:

Public Member Functions
	Selector_UPPER_ATOM (std::string const &position, bool const result)
bool	operator[] (ResidueTypeBase const &rsd) const override
	Select by the position at which the upper connection is attached. More...
Public Member Functions inherited from core::chemical::ResidueTypeSelectorSingle
	~ResidueTypeSelectorSingle () override
	Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
	ResidueTypeSelectorSingle (bool const result)
bool	desired_result () const

Private Attributes
std::string	position_

Detailed Description

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

By position, it is meant the atom to which the UPPER connection is attached.

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 can be used for any residue subclass that contains variability in the main chain. See patches/carbohydrates/upper_terminus.txt for an example of use.

Author

Labonte

Constructor & Destructor Documentation

core::chemical::Selector_UPPER_ATOM::Selector_UPPER_ATOM ( std::string const &  position, bool const  result  )

inline

Member Function Documentation

bool core::chemical::Selector_UPPER_ATOM::operator[] ( ResidueTypeBase const &  rsd ) const

overridevirtual

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

Implements core::chemical::ResidueTypeSelectorSingle.

References core::chemical::ResidueType::atom_index(), core::chemical::MutableResidueType::atom_vertex(), core::chemical::ResidueTypeSelectorSingle::desired_result(), core::chemical::ResidueTypeBase::has(), core::chemical::MutableResidueType::upper_connect_atom(), core::chemical::ResidueType::upper_connect_atom(), core::chemical::MutableResidueType::upper_connect_id(), and core::chemical::ResidueType::upper_connect_id().

Member Data Documentation

std::string core::chemical::Selector_UPPER_ATOM::position_

private

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

• src/core/chemical/ResidueTypeSelector.hh
• src/core/chemical/ResidueTypeSelector.cc