feat(data): Add AseDataLoader utility with lazy loading for ase

[aychachouchene]

Lazy loader for ASE Atoms with optional conversion to jraph.GraphsTuple.

[codecov-commenter]

⚠️ Please install the to ensure uploads and comments are reliably processed by Codecov.

Codecov Report

❌ Patch coverage is 34.14634% with 27 lines in your changes missing coverage. Please review.

Files with missing lines	Patch %	Lines
src/tensorial/gcnn/data/_ase.py	28.94%	27 Missing ⚠️
❗ Your organization needs to install the Codecov GitHub app to enable full functionality.

Files with missing lines	Coverage Δ
src/tensorial/gcnn/data/__init__.py	100.00% <100.00%> (ø)
src/tensorial/gcnn/data/_ase.py	28.94% <28.94%> (ø)

🚀 New features to boost your workflow:

• ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

[muhrin]

Looks good, just a few changes to be made. Also, if you could turn on pre-commit checks that would be good, as some of them are failing for this PR. You can do this using:

pre-commit install

in the terminal. In case the pre-commit package is, itself, not installed, just go to your tensorial folder and do:

pip install -e .[dev]

[muhrin]

Instead of doing this can you use the lazy import helper that I left in the chat. Basically, as a general rule it's not a good idea to do imports anywhere other than the top of the module file because it harms the readability of functions, and if we have everything at the top of the module it's easy to see all the direct dependencies of this module.

Here's the example:

import importlib.util
import sys

def lazy_import(name: str):
    """Lazily import a module using the standard library."""
    spec = importlib.util.find_spec(name)
    if spec is None:
        # Optimization: if it's completely missing, we can fail early 
        # or return a dummy object.
        pass
    loader = importlib.util.LazyLoader(spec.loader)
    module = importlib.util.module_from_spec(spec)
    spec.loader = loader
    sys.modules[name] = module
    return module

# Usage at top of file
np = lazy_import("numpy") 

[muhrin]

This you can change to from collections.abc import Sequence

[muhrin]

...and here the parent class can just be Sequence[jraph.GraphsTuple]

[muhrin]

You cannot import gcnn this way, because you are 'inside' gcnn and so this creates a cyclic import dependency.

Instead what you can do is from .. import atomic which is now relative (and specific), hence avoiding the cyclic import.

[muhrin]

...and here you just remove gcnn and call atomic.graph_from... directly.

[muhrin]

Thanks!