core::chemical::SetAtomicCharge Class Reference

set an atom's charge More...

#include <PatchOperation.hh>

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

Constructor & Destructor Documentation

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

constructor

Member Function Documentation

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

virtual

set an atom's charge

Implements core::chemical::PatchOperation.

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.

Referenced by core::util::add_covalent_linkage_helper().

Member Data Documentation

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

private

atom's name

Referenced by apply().

Real core::chemical::SetAtomicCharge::charge_

private

atom's charge

Referenced by apply().

---

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

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