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core::chemical::SetPolymerConnectAtom Class Reference

set an atom as polymer connection More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::SetPolymerConnectAtom:
Inheritance graph
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Public Member Functions

 SetPolymerConnectAtom (std::string const &atom_name_in, std::string const &upper_lower_in)
 constructor the type of connection is "LOWER" or "UPPER" More...
 
bool apply (MutableResidueType &rsd) const override
 set an atom in ResidueType rsd as a polymer connection atom More...
 
bool changes_connections_on (ResidueType const &rsd_type, std::string const &atom) const override
 Can this case change connections for the atom on the residue? More...
 
std::string name () const override
 Return the name of this PatchOperation ("SetPolymerConnectAtom"). 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 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_
 
int upper_lower_
 

Detailed Description

set an atom as polymer connection

Constructor & Destructor Documentation

core::chemical::SetPolymerConnectAtom::SetPolymerConnectAtom ( std::string const &  atom_name_in,
std::string const &  upper_lower_in 
)

constructor the type of connection is "LOWER" or "UPPER"

References upper_lower_.

Member Function Documentation

bool core::chemical::SetPolymerConnectAtom::apply ( MutableResidueType rsd) const
overridevirtual
bool core::chemical::SetPolymerConnectAtom::changes_connections_on ( ResidueType const &  ,
std::string const &   
) const
overridevirtual

Can this case change connections for the atom on the residue?

  • Be a little careful, as the passed atom name string may not have the same whitespace padding as any internal atom name.

Reimplemented from core::chemical::PatchOperation.

References core::chemical::ResidueType::atom_index(), atom_name_, and core::chemical::ResidueType::has().

std::string core::chemical::SetPolymerConnectAtom::name ( ) const
overridevirtual

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

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

Implements core::chemical::PatchOperation.

Member Data Documentation

std::string core::chemical::SetPolymerConnectAtom::atom_name_
private

Referenced by apply(), and changes_connections_on().

int core::chemical::SetPolymerConnectAtom::upper_lower_
private

Referenced by apply(), and SetPolymerConnectAtom().


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