castep_outputs.bin_parsers.fortran_bin_parser

General parser for the Fortran Unformatted file format.

Classes

FortranBinaryReader(file)

Yield the elements of a Fortran unformatted file.

class castep_outputs.bin_parsers.fortran_bin_parser.FortranBinaryReader(file)

Bases: object

Yield the elements of a Fortran unformatted file.

Parameters:

file (BinaryIO) – Open file to get binary data from.

Yields:

bytes – Binary data record from Fortran file.

Notes

Each “record” is:

(pre_nbytes: 4; data: nbytes; post_nbytes: 4)

Where pre_nbytes == post_nbytes (this is used in Fortran for rewinding).

So when we rewind, we rewind the current size + post_nbytes (current) + pre_nbytes (current) + post_nbytes (previous) [cursor now before post_nbytes (previous)] which is then read putting the cursor after post_nbytes (previous).

When we do the final rewind, we put the cursor before pre_nbytes ready to read the record.

get(typ: type[T]) → T

get(typ: tuple[type[T], ellipsis]) → tuple[T, ...]

Get next value as typ.

Parameters:

typ – Type to retrieve.

Returns:

Value as type.

get_dtype_cycle(dtypes: tuple[type[T], ...]) → Iterator[tuple[T, ...]]

get_dtype_cycle(dtypes: tuple[tuple[type[T], ellipsis], ...]) → Iterator[tuple[tuple[T, ...], ...]]

get_dtype_cycle(dtypes: tuple[type[T] | tuple[type[T], ellipsis], ...]) → Iterator[tuple[T | tuple[T, ...], ...]]

get_dtype_cycle(dtypes: Mapping[K, type[T]]) → Iterator[dict[K, T]]

get_dtype_cycle(dtypes: Mapping[K, tuple[type[T], ellipsis]]) → Iterator[dict[K, tuple[T, ...]]]

get_dtype_cycle(dtypes: Mapping[K, type[T] | tuple[type[T], ellipsis]]) → Iterator[dict[K, T | tuple[T, ...]]]

get_dtype_cycle(_, *, n: int | None = None)

Get iterator over values reading dtypes each cycle.

Parameters:

• dtypes – Dtypes to load simultaneously.

• n – Number of iterations to load or infinite if None.

Yields:

Loaded data.

See also

get_dtype_iter, get_dtype_dict

get_dtype_dict(dtypes: Mapping[K, type[T]]) → dict[K, T]

get_dtype_dict(dtypes: Mapping[K, tuple[type[T], ellipsis]]) → dict[K, tuple[T, ...]]

get_dtype_dict(dtypes: Mapping[K, type[T] | tuple[type[T], ellipsis]]) → dict[K, T | tuple[T, ...]]

Get from a dictionary of dtypes to read.

Parameters:

dtypes – Dictionary mapping key names to dtype to read.

Returns:

Loaded data.

get_dtype_iter(dtypes: Iterable[type[T]]) → Iterator[T]

get_dtype_iter(dtypes: Iterable[tuple[type[T], ellipsis]]) → Iterator[tuple[T, ...]]

get_dtype_iter(dtypes: Iterable[type[T] | tuple[type[T], ellipsis]]) → Iterator[T | tuple[T, ...]]

Get next values as types in dtypes.

Parameters:

dtypes – Types of data to read.

Yields:

Loaded data.

rewind(n=1, /)

Rewind n elements.

Parameters:

n (int) – How many elements to rewind.

Return type:

None

skip(n, /)

Ignore the next n elements.

Parameters:

n (int) – Number of elements to skip.

Return type:

None