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RionID Documentation

Masses

GSI-Nuclear-Astrophysics/rionid

RionID Documentation

GSI-Nuclear-Astrophysics/rionid

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Masses

`rionid.masses`

Nuclide mass and mass-to-charge utilities.

Loads and caches the AME2020 mass table and computes ionic mass-to-charge ratios via the electron-binding-energy correction. The physical constants and electron-binding-energy table (AMEData.ElBiEn) below must not be hand-edited.

`AMEData`

Loads and caches the AME2020 mass table.

On construction, reads ~/.ame/ame.data, downloading it first if absent. Also builds an index for O(1) (element name, mass number) lookup via lookup(), replacing the linear table scan that was an O(N x table-size) hot spot.

Source code in src/rionid/masses.py

class AMEData:
    """Loads and caches the AME2020 mass table.

    On construction, reads `~/.ame/ame.data`, downloading it first if
    absent.
    Also builds an index for O(1) (element name, mass number) lookup via
    `lookup()`, replacing the linear table scan that was an
    O(N x table-size) hot spot.
    """

    AME_DATA_LINK = "https://www-nds.iaea.org/amdc/ame2020/mass_1.mas20.txt"
    FOLDER_NAME = "/.ame/"

    def __init__(self):
        self.home_folder = os.path.expanduser("~") + AMEData.FOLDER_NAME
        os.makedirs(self.home_folder, exist_ok=True)
        self.ame_table = []
        self.ame_data_filename = f"{self.home_folder}ame.data"
        if not os.path.exists(self.ame_data_filename):
            self._download()
        self._parse_ame()
        self._index = {}
        for row in self.ame_table:
            key = (row[6], row[5])
            if key not in self._index:
                self._index[key] = row

    def lookup(self, name, aa):
        """Returns the AME table row for (element name, mass number `aa`),
        or `None` if not present in the table."""
        return self._index.get((name, aa))

    def _download(self):
        """Downloads the AME2020 table into `self.home_folder`."""
        req = ur.Request(AMEData.AME_DATA_LINK, headers={"User-Agent": "Magic Browser"})
        g = ur.urlopen(req)
        with open(self.home_folder + "ame.data", "b+w") as f:
            f.write(g.read())

    def _parse_ame(self):
        """Parses the fixed-width AME2020 mass table. The FORTRAN format
        string and 36-line header skip are the AME2020 file layout and
        must not change without a new AME release."""
        ffline = ff.FortranRecordReader(
            "(a4,a1,i3,i5,i5,i5,1x,a3,a4,1x,f14.6,f12.6,f13.5,1x,f10.5,1x,a2,f13.5,f11.5,1x,i3,1x,f13.6,f12.6)"
        )
        with open(self.ame_data_filename) as f:
            for _ in range(36):
                next(f)
            for line in f:
                if "*" in line:
                    line = line.replace("*", "0")
                if "#" in line:
                    line = line.replace("#", ".")
                    line = "sys " + line
                else:
                    line = "exp " + line
                dataline = ffline.read(line)
                for i in range(len(dataline)):
                    if isinstance(dataline[i], str):
                        dataline[i] = dataline[i].strip()
                self.ame_table.append(dataline)

    @staticmethod
    def to_mev(m_u):
        return m_u * AMEData.UU

    @staticmethod
    def to_u(m_mev):
        return m_mev / AMEData.UU

    @staticmethod
    def get_elbien(zz, qq):
        return AMEData.ElBiEn[zz][zz - qq]

    #
    # Table of electron binding energies. V.:09.09.2007 (YAL)
    # All energies are given in Ev.
    # TBE and energies for 3e- upto 105e-:
    # Rodrigues et al., At. Data Nucl. Data Tables 86 (2004) 117-233.
    # Older tables are used for 1e- and 2e-ions:
    # K.N. Huang et al., At. Data Nucl. Data Tables 18 (1976) 243.
    # W.R. Johnson, G. Soff, At. Data Nucl. Data Tables 39 (1988) 265.
    # D.R. Plante, W.R. Johnson, J. Sapirstein, Phys. Rev. A 49 (1994) 3519.
    #

    CC = 299792458  # m/s
    UU = 931.4940023  # MeV/C^2
    EE = 1.602176565e-19  # Coulombs
    ME = 0.510998928  # MeV/C^2

    # Usage: e.g. show all electron binding energies for 4-Be:
    #
    # ElBiEn[4][:4+1]
    # ---> [0, 218, 372, 389, 397]
    # This means that the binding energy for
    # ElBiEn[4][0] i.e. 0-e ion (bare) = 0
    # ElBiEn[4][1] i.e. 1-e ion (H-like) = 218 eV
    # ElBiEn[4][2] i.e. 2-e ion (He-like) = 372 eV
    # ElBiEn[4][3] i.e. 3-e ion (Li-like) = 389 eV
    # ElBiEn[4][4] i.e. 4-e ion (full atom) = 397 eV
    #
    # This table starts at zero/zero to be consistent with programming arrays#
    # values for H and He are taken from general sources, while being rounded up to integer values
    #
    # In order to calculate the ionization energy, subtract levels. e.g.
    # first ionization energy:
    # AMEData.ElBiEn[4][4] - AMEData.ElBiEn[4][4-1]
    # second ionization energy:
    # AMEData.ElBiEn[4][4-1] - AMEData.ElBiEn[4][4-2]

    # fmt: off
    ElBiEn = [
        [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 14, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 54, 79, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 122, 198, 202, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 218, 372, 389, 397, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 340, 600, 636, 660, 668, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 490, 882, 945, 991, 1015, 1026, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 667, 1219, 1316, 1391, 1438, 1467, 1482, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 871, 1611, 1747, 1859, 1936, 1990, 2025, 2037, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 1103, 2057, 2241, 2395, 2509, 2596, 2658, 2691, 2707, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 1362, 2558, 2796, 2999, 3157, 3283, 3380, 3442, 3481, 3501, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 1649, 3114, 3412, 3673, 3881, 4053, 4192, 4289, 4359, 4404, 4409, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0],
        [0, 1963, 3725, 4091, 4414, 4681, 4906, 5092, 5231, 5339, 5418, 5432, 5439, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0],
        [0, 2304, 4390, 4831, 5225, 5555, 5840, 6082, 6270, 6423, 6541, 6569, 6587, 6592, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0],
        [0, 2673, 5111, 5633, 6104, 6506, 6857, 7161, 7406, 7609, 7774, 7819, 7851, 7867, 7875, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0],
        [0, 3070, 5887, 6497, 7053, 7533, 7957, 8329, 8637, 8899, 9118, 9183, 9233, 9262, 9281, 9291, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0],
        [0, 3494, 6718, 7423, 8070, 8635, 9140, 9588, 9966, 10293, 10572, 10660, 10731, 10777, 10811, 10834, 10843, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 3946, 7605, 8412, 9157, 9814, 10406, 10936, 11391, 11790, 12137, 12250, 12345, 12412, 12465, 12504, 12526,
         12538, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 4426, 8547, 9464, 10314, 11070, 11756, 12375, 12913, 13391, 13812, 13955, 14077, 14167, 14241, 14300, 14339,
         14365, 14380, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 4934, 9545, 10578, 11540, 12402, 13189, 13903, 14532, 15096, 15598, 15773, 15926, 16043, 16141, 16223,
         16282, 16326, 16357, 16361, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 5470, 10599, 11755, 12836, 13811, 14706, 15523, 16249, 16905, 17495, 17706, 17892, 18039, 18165, 18272,
         18355, 18421, 18470, 18482, 18487, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 6034, 11709, 12995, 14202, 15297, 16307, 17233, 18064, 18819, 19504, 19753, 19976, 20156, 20313, 20449,
         20558, 20649, 20721, 20745, 20757, 20762, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 6626, 12875, 14298, 15638, 16860, 17992, 19034, 19976, 20838, 21624, 21915, 22178, 22394, 22585, 22753,
         22892, 23010, 23108, 23150, 23177, 23190, 23195, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 7246, 14098, 15665, 17146, 18501, 19762, 20927, 21987, 22963, 23857, 24193, 24498, 24753, 24981, 25184,
         25356, 25505, 25632, 25696, 25742, 25770, 25783, 25790, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 7895, 15377, 17096, 18724, 20221, 21617, 22912, 24097, 25192, 26202, 26585, 26937, 27234, 27503, 27744,
         27951, 28134, 28293, 28383, 28452, 28500, 28529, 28544, 28550, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 8572, 16727, 18591, 20373, 22018, 23557, 24988, 26306, 27528, 28659, 29094, 29494, 29837, 30149, 30431,
         30678, 30898, 31092, 31210, 31305, 31377, 31427, 31459, 31474, 31480, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],
        [0, 9278, 18106, 20150, 22093, 23894, 25584, 27157, 28614, 29969, 31230, 31718, 32171, 32562, 32921, 33247,
         33536, 33797, 34029, 34179, 34303, 34401, 34475, 34529, 34557, 34573, 34579, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
         0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
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        [0, 106983, 212045, 238433, 264421, 289776, 314634, 336494, 357965, 379013, 399679, 409387, 418937, 428156,
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`lookup(name, aa)`

Returns the AME table row for (element name, mass number aa), or None if not present in the table.

Source code in src/rionid/masses.py

def lookup(self, name, aa):
    """Returns the AME table row for (element name, mass number `aa`),
    or `None` if not present in the table."""
    return self._index.get((name, aa))

`Ring`

A storage ring, reduced to what RionID uses: name and circumference.

Source code in src/rionid/masses.py

class Ring:
    """A storage ring, reduced to what RionID uses: name and circumference."""

    def __init__(self, name, circumference):
        self.name = name
        self.circumference = circumference

`get_ame_data()`

Returns a process-lifetime-cached AMEData instance.

The AME table is immutable for the life of the process (it only changes if a user re-downloads it between runs), so re-parsing on every ImportData construction is wasted work.

Source code in src/rionid/masses.py

def get_ame_data():
    """Returns a process-lifetime-cached `AMEData` instance.

    The AME table is immutable for the life of the process (it
    only changes if a user re-downloads it between runs), so re-parsing
    on every `ImportData` construction is wasted work.
    """
    global _ame_cache
    if _ame_cache is None:
        _ame_cache = AMEData()
    return _ame_cache

`ionic_mass_u(ame_row, qq)`

Ionic mass in u for an ion in charge state qq, given its AME table row.

Implements the atomic-to-ionic mass correction: the ionic mass is the atomic mass minus the removed electrons' rest mass, plus the corresponding change in total electron binding energy divided by c^2. Do not change this arithmetic.

Source code in src/rionid/masses.py

def ionic_mass_u(ame_row, qq):
    """Ionic mass in u for an ion in charge state `qq`, given its AME
    table row.

    Implements the atomic-to-ionic mass correction: the ionic mass is the atomic
    mass minus the removed electrons' rest mass, plus the corresponding
    change in total electron binding energy divided by c^2. Do not change
    this arithmetic.
    """
    zz = ame_row[4]
    atomic_mass_u = (ame_row[15] * 1.0e6 + ame_row[16]) / 1.0e6
    if zz > 100:
        return atomic_mass_u
    return atomic_mass_u + AMEData.to_u(
        (AMEData.get_elbien(zz, 0) - AMEData.get_elbien(zz, qq)) / 1.0e6 - qq * AMEData.ME
    )

`ionic_moq_u(ame_row, qq)`

Ionic mass-to-charge ratio in u, for an ion in charge state qq.

Source code in src/rionid/masses.py

def ionic_moq_u(ame_row, qq):
    """Ionic mass-to-charge ratio in u, for an ion in charge state `qq`."""
    return ionic_mass_u(ame_row, qq) / qq