class
Chem::BondArray
- Chem::BondArray
- Reference
- Object
Included Modules
Defined in:
chem/core/bond_array.crConstructors
Instance Method Summary
- #<<(bond : Bond)
- #[](atom : Atom) : Bond
- #[]?(atom : Atom) : Bond | Nil
- #add(bond : Bond) : Bond
- #add(other : Atom, order : BondOrder = :single) : Bond
- #delete(other : Atom)
- #delete(bond : Bond)
- #size(*args, **options)
- #size(*args, **options, &)
- #unsafe_fetch(*args, **options)
- #unsafe_fetch(*args, **options, &)
Instance methods inherited from module Indexable(Chem::Bond)
[](idxs : Tuple) : Tuple[](idxs : Enumerable(Int)) : Array(T)
[](*idxs : Int) : Tuple [], sentence(io : IO, separator : String = ", ", *, pair_separator : String = " and ", tail_separator : String = ", and ", & : T, IO -> ) : Nil
sentence(io : IO, separator : String = ", ", *, pair_separator : String = " and ", tail_separator : String = ", and ") : Nil
sentence(separator : String = ", ", *, pair_separator : String = " and ", tail_separator : String = ", and ", & : T -> ) : String
sentence(separator : String = ", ", *, pair_separator : String = " and ", tail_separator : String = ", and ") : String sentence, to_dcd(io : IO, title : String | Nil = nil) : Nil
to_dcd(title : String | Nil = nil) : String
to_dcd(path : Path | String, title : String | Nil = nil) : Nil to_dcd
Instance methods inherited from module Enumerable(Chem::Bond)
===(atom : Chem::Atom) : Bool===(chain : Chem::Chain) : Bool
===(residue : Chem::Residue) : Bool ===, average(weights : Indexable(Number))
average(weights : Indexable(Number), & : T -> _) average, find(pattern, if_none default = nil) find, find!(pattern) find!, mean
mean(& : T -> _) mean, to_dcd(io : IO, title : String | Nil = nil) : Nil
to_dcd(title : String | Nil = nil) : String
to_dcd(path : Path | String, title : String | Nil = nil) : Nil to_dcd, to_mol2(io : IO) : Nil
to_mol2(path : Path | String) : Nil
to_mol2 : String to_mol2, to_pdb(io : IO, conect conect_options : PDB::ConectOptions = PDB::ConectOptions.flags(Het, Disulfide), renumber : Bool = true, ter_on_fragment : Bool = false) : Nil
to_pdb(conect conect_options : PDB::ConectOptions = PDB::ConectOptions.flags(Het, Disulfide), renumber : Bool = true, ter_on_fragment : Bool = false) : String
to_pdb(path : Path | String, conect conect_options : PDB::ConectOptions = PDB::ConectOptions.flags(Het, Disulfide), renumber : Bool = true, ter_on_fragment : Bool = false) : Nil to_pdb, to_sdf(io : IO, variant : Mol::Variant = :v2000) : Nil
to_sdf(path : Path | String, variant : Mol::Variant = :v2000) : Nil
to_sdf(variant : Mol::Variant = :v2000) : String to_sdf, to_xyz(io : IO, extended : Bool = false, fields : Array(String) = [] of String) : Nil
to_xyz(extended : Bool = false, fields : Array(String) = [] of String) : String
to_xyz(path : Path | String, extended : Bool = false, fields : Array(String) = [] of String) : Nil to_xyz