core::chemical::AddAtom Class Reference

add an atom to ResidueType More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::AddAtom:

Collaboration 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
	add an atom More...
Public Member Functions inherited from core::chemical::PatchOperation
virtual	~PatchOperation ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...

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

Detailed Description

add an atom to ResidueType

Definition at line 415 of file PatchOperation.hh.

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  )

inline

constructor

Definition at line 419 of file PatchOperation.hh.

Member Function Documentation

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

inlinevirtual

add an atom

Implements core::chemical::PatchOperation.

Definition at line 433 of file PatchOperation.hh.

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

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

Member Data Documentation

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

private

Definition at line 442 of file PatchOperation.hh.

Referenced by apply().

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

private

Definition at line 443 of file PatchOperation.hh.

Referenced by apply().

Real const core::chemical::AddAtom::charge_

private

Definition at line 445 of file PatchOperation.hh.

Referenced by apply().

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

private

Definition at line 444 of file PatchOperation.hh.

Referenced by apply().

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

• src/core/chemical/PatchOperation.hh