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Rosetta
2021.16
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Rosetta
2021.16
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add an atom to ResidueType More...
#include <PatchOperation.hh>
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_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_name_ |
| std::string | atom_type_name_ |
| std::string | mm_atom_type_name_ |
| Real | charge_ |
add an atom to ResidueType
| 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
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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_.
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overridevirtual |
add an atom
Implements core::chemical::PatchOperation.
References core::chemical::MutableResidueType::add_atom(), atom_name_, atom_type_name_, charge_, core::chemical::MutableResidueType::has(), mm_atom_type_name_, core::chemical::ResidueTypeBase::name(), and core::chemical::TR_PatchOperations().
Referenced by protocols::ligand_docking::AddHydrogen::apply().
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overridevirtual |
Return the name of this PatchOperation ("AddAtom").
Implements core::chemical::PatchOperation.
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private |
Referenced by adds_atoms(), and apply().
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private |
Referenced by apply().
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private |
Referenced by apply().
1.8.7