refactor: unify and modernize periodic table utilities and typing

- Replace atomsymb and atommass tuples with AtomInfo dataclass and PTable enum for atomic data
- Refactor all usages to access atomic symbol and mass via PTable methods
- Remove nptyping dependency, switch to numpy.typing for type annotations
- Update molecule and atom classes to use new typing and atomic data access
- Bump numpy version to 2.x and remove nptyping from dependencies
This commit is contained in:
2026-02-27 17:56:11 -03:00
parent b6e57bc1c5
commit d400970e8f
8 changed files with 242 additions and 356 deletions

View File

@@ -6,14 +6,14 @@ from .misc import (
make_step_dir,
weekday_date_time,
)
from .ptable import atommass, atomsymb
from .ptable import AtomInfo, PTable
__all__ = [
"Logger",
"valid_logger",
"atomsymb",
"atommass",
"PTable",
"AtomInfo",
"weekday_date_time",
"date_time",
"compress_files_1mb",