struct Chem::AtomView

Included Modules

Defined in:

chem/core/atom_view.cr

Instance Method Summary

Instance methods inherited from module Chem::ResidueCollection

each_residue : Iterator(Residue)
each_residue(&block : Residue -> )
each_residue
, each_residue_fragment(& : ResidueView -> ) : Nil each_residue_fragment, each_secondary_structure(reuse : Bool | Array(Residue) = false, strict : Bool = true, handedness : Bool = true) : Iterator(ResidueView)
each_secondary_structure(reuse : Bool | Array(Residue) = false, strict : Bool = true, handedness : Bool = true, & : ResidueView, Protein::SecondaryStructure -> ) : Nil
each_secondary_structure
, link_bond : Topology::BondType | Nil link_bond, n_residues : Int32 n_residues, reset_secondary_structure : self reset_secondary_structure, residue_fragments : Array(ResidueView) residue_fragments, residues : ResidueView residues, sec=(seclist : Array(Protein::SecondaryStructure)) : Array(Protein::SecondaryStructure)
sec=(sec : Protein::SecondaryStructure) : Protein::SecondaryStructure
sec=
, secondary_structures(strict : Bool = true, handedness : Bool = true) : Array(ResidueView) secondary_structures

Instance methods inherited from module Chem::ChainCollection

chains : ChainView chains, each_chain : Iterator(Chain)
each_chain(&block : Chain -> )
each_chain
, n_chains : Int32 n_chains

Instance methods inherited from module Chem::AtomCollection

atoms : AtomView atoms, bonds : Array(Bond) bonds, coords : Spatial::CoordinatesProxy coords, each_atom : Iterator(Atom)
each_atom(&block : Atom -> )
each_atom
, each_fragment(& : AtomView -> ) : Nil each_fragment, formal_charge : Int32 formal_charge, formal_charges : Array(Int32) formal_charges, fragments : Array(AtomView) fragments, has_hydrogens? : Bool has_hydrogens?, n_atoms : Int32 n_atoms, to_gen(output : ::IO | Path | String, *args, **options) : Nil
to_gen(*args, **options) : String
to_gen
, to_mol2(output : ::IO | Path | String, *args, **options) : Nil
to_mol2(*args, **options) : String
to_mol2
, to_pdb(output : ::IO | Path | String, *args, **options) : Nil
to_pdb(*args, **options) : String
to_pdb
, to_poscar(output : ::IO | Path | String, *args, **options) : Nil
to_poscar(*args, **options) : String
to_poscar
, to_xyz(output : ::IO | Path | String, *args, **options) : Nil
to_xyz(*args, **options) : String
to_xyz

Instance methods inherited from module Chem::ArrayView(Chem::Atom)

[](start : Int, count : Int) : self
[](range : Range(Int, Int)) : self
[]
, find(*args, **options)
find(*args, **options, &)
find
, size(*args, **options)
size(*args, **options, &)
size
, sort_by(&block : T -> _) : self sort_by, to_a : Array(T) to_a, unsafe_fetch(*args, **options)
unsafe_fetch(*args, **options, &)
unsafe_fetch

Constructor methods inherited from module Chem::ArrayView(Chem::Atom)

new(items) new

Instance methods inherited from module Indexable(Chem::Atom)

index!(of object, offset : Int = 0) : Int
index!(offset : Int = 0, &block : T -> Bool) : Int
index!

Instance Method Detail

def [](name : String) : Atom | Nil #

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def [](*, serial : Int) : Atom #

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def []?(name : String) : Atom | Nil #

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def []?(*, serial : Int) : Atom | Nil #

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def atoms : self #

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def each_atom : Iterator(Atom) #

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def each_atom(&block : Atom -> ) #

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def each_chain : Iterator(Chain) #

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def each_chain(&block : Chain -> ) #

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def each_residue : Iterator(Residue) #

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def each_residue(&block : Residue -> ) #

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def n_atoms : Int32 #

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def n_chains : Int32 #

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def n_residues : Int32 #

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