class Chem::Cube::Writer

Defined in:

chem/io/formats/cube.cr

Constant Summary

ANGS_TO_BOHR = 1.88972612478289694072

Constructors

Instance Method Summary

Instance methods inherited from class Chem::IO::Writer(Chem::Spatial::Grid)

close : Nil close, closed? closed?, format(str : String, *args, **options) : Nil format, formatl(str : String, *args, **options) : Nil formatl, sync_close=(sync_close : Bool) sync_close=, sync_close? sync_close?, write(obj : T) : Nil write

Constructor methods inherited from class Chem::IO::Writer(Chem::Spatial::Grid)

new(input : ::IO | Path | String, *, sync_close : Bool = false) new

Class methods inherited from class Chem::IO::Writer(Chem::Spatial::Grid)

open(io : ::IO | Path | String, *args, sync_close : Bool = false, **options, &) open

Constructor Detail

def self.new(input : ::IO | Path | String, atoms : AtomCollection, sync_close : Bool = false) #

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Instance Method Detail

def write(grid : Spatial::Grid) : Nil #

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