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