core::chemical::SetAtomicCharge Class Reference

set an atom's charge More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::SetAtomicCharge:

Collaboration diagram for core::chemical::SetAtomicCharge:

Public Member Functions
	SetAtomicCharge (std::string const &atom_name_in, Real const charge_in)
	constructor More...
bool	apply (ResidueType &rsd) const
	set an atom's charge 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_
	atom's name More...
Real	charge_
	atom's charge More...

Detailed Description

set an atom's charge

Definition at line 486 of file PatchOperation.hh.

Constructor & Destructor Documentation

core::chemical::SetAtomicCharge::SetAtomicCharge ( std::string const &  atom_name_in, Real const  charge_in  )

inline

constructor

Definition at line 490 of file PatchOperation.hh.

Member Function Documentation

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

virtual

set an atom's charge

Implements core::chemical::PatchOperation.

Definition at line 45 of file PatchOperation.cc.

References core::chemical::ResidueType::atom(), atom_name_, core::chemical::Atom::charge(), charge_, core::chemical::ResidueType::has(), core::chemical::ResidueType::name(), and core::chemical::TR_PatchOperations().

Member Data Documentation

std::string core::chemical::SetAtomicCharge::atom_name_

private

atom's name

Definition at line 504 of file PatchOperation.hh.

Referenced by apply().

Real core::chemical::SetAtomicCharge::charge_

private

atom's charge

Definition at line 506 of file PatchOperation.hh.

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