struct Chem::Spatial::Grid::Info
- Chem::Spatial::Grid::Info
- Struct
- Value
- Object
Defined in:
chem/register_format.crchem/spatial/grid.cr
Constructors
-
.from_chgcar(input : IO | Path | String) : self
Returns the header encoded in input using the
Chem::VASP::Chgcarfile format. -
.from_cube(input : IO | Path | String) : self
Returns the header encoded in input using the
Chem::Cubefile format. -
.from_dx(input : IO | Path | String) : self
Returns the header encoded in input using the
Chem::DXfile format. -
.from_locpot(input : IO | Path | String) : self
Returns the header encoded in input using the
Chem::VASP::Locpotfile format. - .new(bounds : Parallelepiped, dim : Dimensions)
-
.read(input : IO | Path | String, format : Chem::Format | String) : self
Returns the header encoded in the specified file using format.
-
.read(path : Path | String) : self
Returns the header encoded in the specified file.
Instance Method Summary
- #bounds : Parallelepiped
- #clone
- #copy_with(bounds _bounds = @bounds, dim _dim = @dim)
- #dim : Dimensions
Constructor Detail
Returns the header encoded in input using the
Chem::VASP::Chgcar file format. Arguments are forwarded to
Chem::VASP::Chgcar::Reader.open.
Returns the header encoded in input using the
Chem::Cube file format. Arguments are forwarded to
Chem::Cube::Reader.open.
Returns the header encoded in input using the
Chem::DX file format. Arguments are forwarded to
Chem::DX::Reader.open.
Returns the header encoded in input using the
Chem::VASP::Locpot file format. Arguments are forwarded to
Chem::VASP::Locpot::Reader.open.
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.
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.