castep_outputs.utilities.type_conv

castep_outputs.utilities.type_conv#

Functions for parsing raw data into python types.

Functions

determine_type(data)

Determine the datatype and return the appropriate type.

fix_data_types(in_dict, type_dict)

Apply correct types to elements of in_dict by mapping given in type_dict.

parse_bytes()

Convert from (Fortran) bytes to a Python type.

parse_int_or_float()

Parse numbers to int if all elements ints or float otherwise.

to_type()

Convert types to typ regardless of if data_in is iterable or otherwise.
castep_outputs.utilities.type_conv.determine_type(data)[source]#

Determine the datatype and return the appropriate type.

For dealing with miscellaneous data read from input files.

Parameters:

data (str) – String to process.

Returns:

Best type to attempt.

Return type:

type

Examples

>>> determine_type('T')
<class 'bool'>
>>> determine_type('False')
<class 'bool'>
>>> determine_type('3.1415')
<class 'float'>
>>> determine_type('123')
<class 'int'>
>>> determine_type('1/3')
<class 'float'>
>>> determine_type('BEEF')
<class 'str'>
castep_outputs.utilities.type_conv.fix_data_types(in_dict, type_dict)[source]#

Apply correct types to elements of in_dict by mapping given in type_dict.

Parameters:

  • in_dict (MutableMapping[str, Any]) – Dictionary of {key: values} to convert.

  • type_dict (dict[str, type]) – Mapping of keys to types the keys should be converted to.

Return type:

None

See also

to_type

Conversion function.

Notes

Modifies the dictionary in-place.

Examples

>>> my_dict = {"int": "7", "float": "3.141", "bool": "T",
...            "vector": ["3", "4", "5"], "blank": "Hello"}
>>> type_map = {"int": int, "float": float, "bool": bool, "vector": float}
>>> fix_data_types(my_dict, type_map)
>>> print(my_dict)
{'int': 7, 'float': 3.141, 'bool': True, 'vector': (3.0, 4.0, 5.0), 'blank': 'Hello'}
castep_outputs.utilities.type_conv.parse_bytes(data_in: bytes, typ: type[T]) → T[source]#
castep_outputs.utilities.type_conv.parse_bytes(data_in: bytes, typ: tuple[type[T], ellipsis]) → tuple[T, ...]

Convert from (Fortran) bytes to a Python type.

Parameters:

  • data_in – Data to convert.

  • typ – Type to convert to.

Returns:

Processed value.

Raises:

TypeError – Invalid type form passed.

Examples

>>> b_rep = (3).to_bytes(4, byteorder="big")
>>> parse_bytes(b_rep, int)
3
>>> parse_bytes(b_rep, (int, ...))
(3,)
>>> parse_bytes(b_rep * 3, (int, ...))
(3, 3, 3)
>>> parse_bytes(b_rep * 3, int)
Traceback (most recent call last):
ValueError: Multiple elements in sequence (remainder=3, 3).
castep_outputs.utilities.type_conv.parse_int_or_float(numbers: str) → int | float[source]#
castep_outputs.utilities.type_conv.parse_int_or_float(numbers: Iterable[str]) → tuple[int | float, ...]

Parse numbers to int if all elements ints or float otherwise.

Parameters:

numbers – Sequence of numbers to parse.

Returns:

Parsed numerical value.

Examples

>>> parse_int_or_float("3.141")
3.141
>>> parse_int_or_float("7")
7
castep_outputs.utilities.type_conv.to_type(data_in: str, typ: type[T]) → T[source]#
castep_outputs.utilities.type_conv.to_type(data_in: Iterable[str | U], typ: type[T]) → tuple[T | U, ...]
castep_outputs.utilities.type_conv.to_type(data_in: Mapping[K, str | U], typ: type[T]) → dict[K, T | U]
castep_outputs.utilities.type_conv.to_type(data_in: U, typ: Any) → U

Convert types to typ regardless of if data_in is iterable or otherwise.

Parameters:

  • data_in – Data to convert.

  • typ – Type to convert to.

Returns:

Converted data.

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