config.py

class Config:
    e_mass = 0.0005484
    

    element_weights = {
        'H': 1.0078250,
        'D': 2.0141018,
        'He': 4.0026022,
        'Li': 6.94,
        'Be': 9.01218315,
        'B': 10.81,
        'C': 12.0000000,
        'N': 14.0030740,
        'O': 15.9949146,
        'F': 18.9984031636,
        'Ne': 20.17976,
        'Na': 22.989769282,
        'Mg': 24.305,
        'Al': 26.98153857,
        'Si': 28.085,
        'P': 30.9737619985,
        'S': 31.9720707,
        'Cl': 35.45,
        'Ar': 39.9481,
        'K': 39.09831,
        'Ca': 40.0784,
        'Sc': 44.9559085,
        'Ti': 47.8671,
        'V': 50.94151,
        'Cr': 51.99616,
        'Mn': 54.9380443,
        'Fe': 55.8452,
        'Co': 58.9331944,
        'Ni': 58.69344,
        'Cu': 63.5463,
        'Zn': 65.382,
        'Ga': 69.7231,
        'Ge': 72.6308,
        'As': 74.9215956,
        'Se': 78.9718,
        'Br': 79.904,
        'Kr': 83.7982,
        'Rb': 85.46783,
        'Sr': 87.621,
        'Y': 88.905842,
        'Zr': 91.2242,
        'Nb': 92.906372,
        'Mo': 95.951,
        'Tc': 98,
        'Ru': 101.072,
        'Rh': 102.905502,
        'Pd': 106.421,
        'Ag': 107.86822,
        'Cd': 112.4144,
        'In': 114.8181,
        'Sn': 118.7107,
        'Sb': 121.7601,
        'Te': 127.603,
        'I': 126.904473,
        'Xe': 131.2936,
        'Cs': 132.905451966,
        'Ba': 137.3277,
        'La': 138.905477,
        'Ce': 140.1161,
        'Pr': 140.907662,
        'Nd': 144.2423,
        'Pm': 145,
        'Sm': 150.362,
        'Eu': 151.9641,
        'Gd': 157.253,
        'Tb': 158.925352,
        'Dy': 162.5001,
        'Ho': 164.930332,
        'Er': 167.2593,
        'Tm': 168.934222,
        'Yb': 173.0451,
        'Lu': 174.96681,
        'Hf': 178.492,
        'Ta': 180.947882,
        'W': 183.841,
        'Re': 186.2071,
        'Os': 190.233,
        'Ir': 192.2173,
        'Pt': 195.0849,
        'Au': 196.9665695,
        'Hg': 200.5923,
        'Tl': 204.38,
        'Pb': 207.21,
        'Bi': 208.980401,
        'Po': 209,
        'At': 210,
        'Rn': 222,
        'Fr': 223,
        'Ra': 226,
        'Ac': 227,
        'Th': 232.03774,
        'Pa': 231.035882,
        'U': 238.028913,
        'Np': 237,
        'Pu': 244,
        'Am': 243,
        'Cm': 247,
        'Bk': 247,
        'Cf': 251,
        'Es': 252,
        'Fm': 257,
        'Md': 258,
        'No': 259,
        'Lr': 266,
        'Rf': 267,
        'Db': 268,
        'Sg': 269,
        'Bh': 270,
        'Hs': 269,
        'Mt': 278,
        'Ds': 281,
        'Rg': 282,
        'Cn': 285,
        'Nh': 286,
        'Fl': 289,
        'Mc': 289,
        'Lv': 293,
        'Ts': 294,
        'Og': 294,
        'Uue': 315
    }

    adducts = {"": 0,
               "H": element_weights["H"],
               "K": element_weights["K"],
               "Na": element_weights["Na"],
               "NH₄": element_weights["N"] + 4*element_weights["H"],
    }

    def __init__(self):
        pass