core::chemical::SetFormalCharge Class Reference

A patch operation for setting the formal charge of a ResidueType's atom. More...

#include <PatchOperation.hh>

Public Member Functions
	SetFormalCharge (std::string const &atom_name_in, core::SSize charge_in)
virtual bool	apply (ResidueType &rsd) const
	Apply this patch to the given ResidueType. 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_
core::SSize	charge_

Detailed Description

A patch operation for setting the formal charge of a ResidueType's atom.

Author

Labonte JWLab.nosp@m.onte.nosp@m.@jhu..nosp@m.edu

Constructor & Destructor Documentation

core::chemical::SetFormalCharge::SetFormalCharge	(	std::string const &	atom_name_in,
		core::SSize	charge_in
	)

Member Function Documentation

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

virtual

Apply this patch to the given ResidueType.

Returns

true on failure

Implements core::chemical::PatchOperation.

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

Member Data Documentation

std::string core::chemical::SetFormalCharge::atom_name_

private

Referenced by apply().

core::SSize core::chemical::SetFormalCharge::charge_

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