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core::chemical::RamaPreproResname Class Reference

Set the residue name for RamaPrePro scoring tables. More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::RamaPreproResname:
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Public Member Functions

 RamaPreproResname (std::string const &resname_in)
 Constructor. More...
 
bool apply (MutableResidueType &rsd) const override
 Set the RamaPrepro reference string in the residue type. More...
 
std::string name () const override
 Return the name of this PatchOperation ("RamaPreproResname"). 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 ()
 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 resname_
 The name listed for the amino acid type in the scoring table. More...
 

Detailed Description

Set the residue name for RamaPrePro scoring tables.

This is the name in the scoring table AND the reference string used to look up the table. Should be unique.

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

Constructor & Destructor Documentation

core::chemical::RamaPreproResname::RamaPreproResname ( std::string const &  resname_in)

Constructor.

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

Member Function Documentation

bool core::chemical::RamaPreproResname::apply ( MutableResidueType rsd) const
overridevirtual

Set the RamaPrepro reference string in the residue type.

Returns
Success ("false" – i.e. no error thrown) or failure ("true").
Author
Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu).

Implements core::chemical::PatchOperation.

References resname_, and core::chemical::ResidueTypeBase::set_rama_prepro_mainchain_torsion_potential_name().

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

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

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

Implements core::chemical::PatchOperation.

Member Data Documentation

std::string core::chemical::RamaPreproResname::resname_
private

The name listed for the amino acid type in the scoring table.

Must be unique.

Referenced by apply().


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