Vitor Hideyoshi
636c65c07c
- Convert System and Molecule classes to use @dataclass and field for defaults - Remove unused imports and legacy code from system.py - Move print_charges_and_dipole method from System to Player for better separation of concerns - Minor formatting and import order improvements for consistency
31 lines
915 B
Python
31 lines
915 B
Python
from diceplayer.environment.molecule import Molecule
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from typing_extensions import List
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from dataclasses import dataclass, field
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@dataclass
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class System:
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"""
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System class declaration. This class is used throughout the DicePlayer program to represent the system containing the molecules.
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Atributes:
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molecule (List[Molecule]): List of molecules of the system
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nmols (List[int]): List of number of molecules in the system
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"""
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nmols: List[int] = field(default_factory=list)
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molecule: List[Molecule] = field(default_factory=list)
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def add_type(self, m: Molecule) -> None:
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"""
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Adds a new molecule type to the system
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Args:
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m (Molecule): The instance of the new type of molecule
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"""
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if not isinstance(m, Molecule):
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raise TypeError("Error: molecule is not a Molecule instance")
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self.molecule.append(m)
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