Initial Folder Rework Implementation
Adds the Environment, External, Utils folder inside de DPpack. All classes are going to be implemented there
This commit is contained in:
52
diceplayer/DPpack/Environment/Atom.py
Normal file
52
diceplayer/DPpack/Environment/Atom.py
Normal file
@@ -0,0 +1,52 @@
|
||||
from diceplayer.DPpack.Utils.PTable import *
|
||||
from diceplayer.DPpack.Utils.Misc import *
|
||||
|
||||
|
||||
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]
|
||||
Reference in New Issue
Block a user