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