core::chemical::AddAtom Class Reference

add an atom to ResidueType More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::AddAtom:

Public Member Functions
	AddAtom (std::string const &atom_name_in, std::string const &atom_type_name_in, std::string const &mm_atom_type_name_in, Real const charge)
	constructor More...
bool	apply (ResidueType &rsd) const override
	add an atom More...
std::string	adds_atom () override
	Which atom, if any, is added. Used for fast matching of ResidueType/Patches to PDB residues. More...
Public Member Functions inherited from core::chemical::PatchOperation
	~PatchOperation () override
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
virtual std::string	deletes_atom ()
	Which atom, if any, is deleted. Used for fast matching of ResidueType/Patches to PDB residues. More...
virtual std::string	adds_property ()
	Which property, if any, is added. More...
virtual std::string	deletes_property ()
	Which property, if any, is deleted. More...
virtual std::string	deletes_variant ()
	Which variant, if any, is deleted. More...
virtual bool	may_change_aa ()
	Generates a new aa. More...
virtual std::string	generates_name3 ()
	Generates name3. More...
virtual std::string	generates_interchangeability_group ()
	Generates interchangeability_group. More...
virtual bool	generates_base_residue ()
	Generates base residue – legacy for D_AA – do not use otherwise. More...
virtual bool	applies_to_placeholder () const
	Special – does this apply to 'minimal', placeholder types? Generally true, unless updating aa or name3. More...

Private Attributes
std::string	atom_name_
std::string	atom_type_name_
std::string	mm_atom_type_name_
Real	charge_

Detailed Description

add an atom to ResidueType

Constructor & Destructor Documentation

core::chemical::AddAtom::AddAtom	(	std::string const &	atom_name_in,
		std::string const &	atom_type_name_in,
		std::string const &	mm_atom_type_name_in,
		Real const	charge
	)

constructor

Member Function Documentation

std::string core::chemical::AddAtom::adds_atom ( )

inlineoverridevirtual

Which atom, if any, is added. Used for fast matching of ResidueType/Patches to PDB residues.

Reimplemented from core::chemical::PatchOperation.

References atom_name_.

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

overridevirtual

add an atom

Implements core::chemical::PatchOperation.

References core::chemical::ResidueType::add_atom(), atom_name_, atom_type_name_, charge_, core::chemical::ResidueType::has(), mm_atom_type_name_, core::chemical::ResidueType::name(), and core::chemical::TR_PatchOperations().

Referenced by protocols::ligand_docking::AddHydrogen::apply().

Member Data Documentation

std::string core::chemical::AddAtom::atom_name_

private

Referenced by adds_atom(), and apply().

std::string core::chemical::AddAtom::atom_type_name_

private

Referenced by apply().

Real core::chemical::AddAtom::charge_

private

Referenced by apply().

std::string core::chemical::AddAtom::mm_atom_type_name_

private

Referenced by apply().

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

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