# Wulfric - Cell, Atoms, K-path.
# Copyright (C) 2023-2025 Andrey Rybakov
#
# e-mail: anry@uv.es, web: adrybakov.com
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <https://www.gnu.org/licenses/>.
R"""Syntax sugar"""
# Save local scope at this moment
old_dir = set(dir())
old_dir.add("old_dir")
class _SyntacticSugar(dict):
r"""
Syntactic sugar for any dictionary.
This class does only one thing. It allows to write
``atoms.names`` instead of ``atoms["names"]``.
Examples
--------
Two code examples below give equivalent result
.. doctest::
>>> import wulfric as wulf
>>> atoms = wulf.Atoms()
>>> atoms.names = ["Cr1", "Cr2"]
>>> atoms.positions = [[0, 0, 0], [0.5, 0.5, 0.5]]
{'names': ['Cr1', 'Cr2'], 'positions': [[0, 0, 0], [0.5, 0.5, 0.5]]}
.. doctest::
>>> import wulfric as wulf
>>> atoms = {}
>>> atoms["names"] = ["Cr1", "Cr2"]
>>> atoms["positions"] = [[0, 0, 0], [0.5, 0.5, 0.5]]
{'names': ['Cr1', 'Cr2'], 'positions': [[0, 0, 0], [0.5, 0.5, 0.5]]}
``Atom`` class behaves as dictionary
.. doctest::
>>> import wulfric as wulf
>>> atoms = wulf.Atoms()
>>> atoms.names = ["Cr1", "Cr2"]
>>> atoms.positions = [[0, 0, 0], [0.5, 0.5, 0.5]]
{'names': ['Cr1', 'Cr2'], 'positions': [[0, 0, 0], [0.5, 0.5, 0.5]]}
"""
def __getattr__(self, key):
try:
return self[key]
except KeyError:
raise AttributeError(key)
__setattr__ = dict.__setitem__
__delattr__ = dict.__delitem__
[docs]
def add_sugar(dictionary: dict) -> _SyntacticSugar:
r"""
Takes any dictionary and add attribute-like access to the key-values to it.
Parameters
----------
dictionary : dict
Dictionary for the addition of the syntax sugar.
Returns
-------
candy : :py:class:`._SyntacticSugar`
Same dictionary with the easy access to the key-value pairs.
Raises
------
ValueError
If ``not isinstance(dictionary, dict)``.
Examples
--------
.. doctest::
>>> import wulfric as wulf
>>> atoms = {"names" : ["Cr1", "Cr2"]}
>>> atoms.names
Traceback (most recent call last):
...
AttributeError: 'dict' object has no attribute 'names'
>>> atoms = wulf.add_sugar(atoms)
>>> atoms.names
['Cr1', 'Cr2']
>>> atoms.positions = [[0, 0, 0], [0.5, 0.5, 0.5]]
>>> atoms.positions
[[0, 0, 0], [0.5, 0.5, 0.5]]
>>> # Note that it still behaves as a dictionary
>>> atoms["positions"] = [[0.5, 0.5, 0.5], [0, 0, 0]]
>>> atoms.positions
[[0.5, 0.5, 0.5], [0, 0, 0]]
>>> atoms["positions"]
[[0.5, 0.5, 0.5], [0, 0, 0]]
>>> atoms
{'names': ['Cr1', 'Cr2'], 'positions': [[0.5, 0.5, 0.5], [0, 0, 0]]}
"""
if not isinstance(dictionary, dict):
raise ValueError(
f"dictionary should be an instance of python dict, got {type(dictionary)}."
)
candy = _SyntacticSugar()
for key in dictionary:
candy[key] = dictionary[key]
return candy
[docs]
def remove_sugar(candy: dict) -> dict:
r"""
Takes any dictionary and remove attribute-like access to the key-values to it.
Parameters
----------
candy : dict
Dictionary for the addition of the syntax sugar.
Returns
-------
dictionary : dict
Same dictionary without the easy access to the key-value pairs.
Raises
------
ValueError
If ``not isinstance(candy, dict)``.
Examples
--------
.. doctest::
>>> import wulfric as wulf
>>> atoms = {"names" : ["Cr1", "Cr2"]}
>>> atoms = wulf.add_sugar(atoms)
>>> atoms.names
['Cr1', 'Cr2']
>>> atoms.positions = [[0, 0, 0], [0.5, 0.5, 0.5]]
>>> atoms = wulf.remove_sugar(atoms)
>>> atoms.names
Traceback (most recent call last):
...
AttributeError: 'dict' object has no attribute 'names'
>>> atoms
{'names': ['Cr1', 'Cr2'], 'positions': [[0, 0, 0], [0.5, 0.5, 0.5]]}
"""
if not isinstance(candy, dict):
raise ValueError(
f"candy should be an instance of python dict, got {type(dictionary)}."
)
dictionary = {}
for key in candy:
dictionary[key] = candy[key]
return dictionary
# Populate __all__ with objects defined in this file
__all__ = list(set(dir()) - old_dir)
# Remove all semi-private objects
__all__ = [i for i in __all__ if not i.startswith("_")]
del old_dir
