Vitor Hideyoshi
4ae8385918
Adds the Environment, External, Utils folder inside de DPpack. All classes are going to be implemented there
53 lines
1.9 KiB
Python
53 lines
1.9 KiB
Python
from diceplayer.DPpack.Utils.PTable import *
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from diceplayer.DPpack.Utils.Misc import *
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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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