struct

Chem::Spatial::Grid::Info

Inherits Struct / Value / Object

Constructors

from_chgcar(input : IO | Path | String) : self

Returns the header encoded in input using the Chem::VASP::Chgcar file format. Arguments are forwarded to Chem::VASP::Chgcar::Reader.open.

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from_cube(input : IO | Path | String) : self

Returns the header encoded in input using the Chem::Cube file format. Arguments are forwarded to Chem::Cube::Reader.open.

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from_dx(input : IO | Path | String) : self

Returns the header encoded in input using the Chem::DX file format. Arguments are forwarded to Chem::DX::Reader.open.

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from_locpot(input : IO | Path | String) : self

Returns the header encoded in input using the Chem::VASP::Locpot file format. Arguments are forwarded to Chem::VASP::Locpot::Reader.open.

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new(bounds : Parallelepiped, dim : Dimensions)
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read(input : IO | Path | String, format : Chem::Format | String) : self

Returns the header encoded in the specified file using format. Raises ArgumentError if format has required arguments or cannot read Chem::Spatial::Grid::Info.

The supported file formats are Chem::Cube, Chem::DX, Chem::VASP::Chgcar, Chem::VASP::Locpot. Use the .from_* methods to customize how the object is decoded in the corresponding file format if possible.

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read(path : Path | String) : self

Returns the header encoded in the specified file. The file format is chosen based on the filename (see Chem::Format#from_filename). Raises ArgumentError if the file format cannot be determined.

The supported file formats are the following:

  • Chem::Cube (.cube)
  • Chem::DX (.dx)
  • Chem::VASP::Chgcar (CHGCAR)
  • Chem::VASP::Locpot (LOCPOT)

Use the .from_* methods to customize how the object is decoded in the corresponding file format if possible.

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Instance methods

bounds
clone
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copy_with(bounds _bounds = @bounds, dim _dim = @dim)
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dim