class Chem::Topology::ResidueType
- Chem::Topology::ResidueType
- Reference
- Object
Defined in:
chem/topology/types.crConstructors
- .build(kind : Residue::Kind = :other, &) : self
- .new(description : String, name : String, code : Char | Nil, kind : Residue::Kind, atom_types : Array(AtomType), bonds : Array(BondType), link_bond : BondType | Nil = nil, root : AtomType | Nil = nil)
Instance Method Summary
- #[](atom_name : String) : AtomType
- #[]?(atom_name : String) : AtomType | Nil
- #atom_count(*, include_hydrogens : Bool = true)
- #atom_names : Array(String)
- #atom_types : Array(AtomType)
- #bonded_atoms(atom_t : AtomType) : Array(AtomType)
- #bonds : Array(BondType)
- #code : Char | Nil
- #description : String
- #each_atom_type(&block : AtomType -> )
- #formal_charge : Int32
- #inspect(io : ::IO) : Nil
- #kind : Residue::Kind
- #link_bond : BondType | Nil
- #monomer? : Bool
- #n_atoms : Int32
- #name : String
- #root : AtomType | Nil
Constructor Detail
def self.new(description : String, name : String, code : Char | Nil, kind : Residue::Kind, atom_types : Array(AtomType), bonds : Array(BondType), link_bond : BondType | Nil = nil, root : AtomType | Nil = nil)
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