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Public Member Functions | Private Attributes | List of all members
core::chemical::AddAtom Class Reference

add an atom to ResidueType More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::AddAtom:
Inheritance graph
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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...
 
std::string name () const override
 Return the name of this PatchOperation ("AddAtom"). More...
 
bool apply (MutableResidueType &rsd) const override
 add an atom More...
 
utility::vector1< std::string > adds_atoms () override
 Which atom(s), if any, is/are 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 VirtualBase. 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 () const
 Which property, if any, is added. More...
 
virtual ResidueProperty adds_property_enum () const
 Which property, if any, is added. More...
 
virtual std::string deletes_property () const
 Which property, if any, is deleted. More...
 
virtual ResidueProperty deletes_property_enum () const
 Which property, if any, is deleted. More...
 
virtual std::string deletes_variant () const
 Which variant, if any, is deleted. More...
 
virtual VariantType deletes_variant_enum () const
 Which variant, if any, is deleted, by enum. More...
 
virtual bool may_change_aa ()
 Generates a new aa. More...
 
virtual bool changes_connections_on (ResidueType const &, std::string const &) const
 Can this case change connections for the atom on the residue? 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

utility::vector1< std::string > core::chemical::AddAtom::adds_atoms ( )
inlineoverridevirtual

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

This includes both atoms and all possible aliases for those atoms.

Reimplemented from core::chemical::PatchOperation.

References atom_name_.

bool core::chemical::AddAtom::apply ( MutableResidueType rsd) const
overridevirtual
std::string core::chemical::AddAtom::name ( ) const
overridevirtual

Return the name of this PatchOperation ("AddAtom").

Author
Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu).

Implements core::chemical::PatchOperation.

Member Data Documentation

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

Referenced by adds_atoms(), 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().


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