Vitor Hideyoshi
d400970e8f
- 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
23 lines
386 B
Python
23 lines
386 B
Python
from .logger import Logger, valid_logger
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from .misc import (
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compress_files_1mb,
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date_time,
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make_qm_dir,
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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 AtomInfo, PTable
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__all__ = [
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"Logger",
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"valid_logger",
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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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"make_step_dir",
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"make_qm_dir",
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]
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