53 lines
1.9 KiB
Python
53 lines
1.9 KiB
Python
from diceplayer.shared.utils.ptable import atommass
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class Atom:
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"""
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Atom class declaration. This class is used throughout the DicePlayer program to represent atoms.
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Atributes:
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lbl (int): Dice derived variable used to represent atoms with identical energies and simetric positions.
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na (int): Atomic number of the represented atom.
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rx (float): x cartesian coordinates of the represented atom.
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ry (float): y cartesian coordinates of the represented atom.
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rz (float): z cartesian coordinates of the represented atom.
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chg (float): charge of the represented atom.
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eps (float): quantum number epsilon of the represented atom.
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sig (float): quantum number sigma of the represented atom.
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"""
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def __init__(
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self,
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lbl: int,
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na: int,
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rx: float,
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ry: float,
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rz: float,
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chg: float,
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eps: float,
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sig: float,
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) -> None:
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"""
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The constructor function __init__ is used to create new instances of the Atom class.
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Args:
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lbl (int): Dice derived variable used to represent atoms with identical energies and simetric positions.
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na (int): Atomic number of the represented atom.
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rx (float): x cartesian coordinates of the represented atom.
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ry (float): y cartesian coordinates of the represented atom.
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rz (float): z cartesian coordinates of the represented atom.
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chg (float): charge of the represented atom.
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eps (float): quantum number epsilon of the represented atom.
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sig (float): quantum number sigma of the represented atom.
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"""
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self.lbl = lbl
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self.na = na
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self.rx = rx
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self.ry = ry
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self.rz = rz
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self.chg = chg
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self.eps = eps
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self.sig = sig
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self.mass = atommass[self.na]
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