core::chemical::SetICoor Class Reference

set an atom's AtomICoord More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::SetICoor:

Public Member Functions
	SetICoor (std::string const &atom_in, Real const phi_in, Real const theta_in, Real const d_in, std::string const &stub1_in, std::string const &stub2_in, std::string const &stub3_in)
	constructor More...
std::string	name () const override
	Return the name of this PatchOperation ("SetICoor"). More...
bool	apply (MutableResidueType &rsd) const override
	set an atom's AtomICoord More...
Public Member Functions inherited from core::chemical::PatchOperation
	~PatchOperation () override
	Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
virtual utility::vector1 < std::string >	adds_atoms ()
	Which atom(s), if any, is/are added. Used for fast matching of ResidueType/Patches to PDB residues. 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_type () const
	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_
	atom's name More...
Real	phi_
	AtomICoord data. More...
Real	theta_
Real	d_
std::string	stub1_
std::string	stub2_
std::string	stub3_

Detailed Description

set an atom's AtomICoord

Constructor & Destructor Documentation

core::chemical::SetICoor::SetICoor	(	std::string const &	atom_in,
		Real const	phi_in,
		Real const	theta_in,
		Real const	d_in,
		std::string const &	stub1_in,
		std::string const &	stub2_in,
		std::string const &	stub3_in
	)

constructor

Member Function Documentation

bool core::chemical::SetICoor::apply ( MutableResidueType &  rsd ) const

overridevirtual

set an atom's AtomICoord

Implements core::chemical::PatchOperation.

References atom_, core::chemical::check_residue_has_atom(), d_, core::chemical::expand_icoor_atom_name(), phi_, core::chemical::MutableResidueType::set_icoor(), stub1_, stub2_, stub3_, theta_, and core::chemical::TR_PatchOperations().

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

std::string core::chemical::SetICoor::name ( ) const

overridevirtual

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

Author

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

Implements core::chemical::PatchOperation.

Member Data Documentation

std::string core::chemical::SetICoor::atom_

private

atom's name

Referenced by apply().

Real core::chemical::SetICoor::d_

private

Referenced by apply().

Real core::chemical::SetICoor::phi_

private

AtomICoord data.

Referenced by apply().

std::string core::chemical::SetICoor::stub1_

private

Referenced by apply().

std::string core::chemical::SetICoor::stub2_

private

Referenced by apply().

std::string core::chemical::SetICoor::stub3_

private

Referenced by apply().

Real core::chemical::SetICoor::theta_

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