tidyms.chem.atoms

Tools for working with Isotopes and Elements.

Objects

  • Element

  • Isotope

  • PeriodicTable

Constants

  • EM: Mass of the electron.

Exceptions

  • InvalidIsotope

class Element(symbol: str, name: str, isotopes: Dict[int, Isotope])

Representation of a chemical element.

Attributes:
namestr

Element name.

symbolstr

Element symbol

isotopesDict[int, Isotope]

Mapping from mass number to an isotope

zint

Atomic number.

nominal_massint

Mass number of the most abundant isotope

get_abundances() → Tuple[ndarray, ndarray, ndarray]

Returns the Mass number, exact mass and abundance of each Isotope.

Returns:
m: array[int]

Mass number of each isotope.

M: array[float]

Exact mass of each isotope.

p: array[float]

Abundance of each isotope.

get_mmi() → Isotope

Returns the isotope with the lowest atomic mass.

get_monoisotope() → Isotope

Returns the most abundant isotope.

exception InvalidIsotope
class Isotope(z: int, a: int, m: float, abundance: float)

Representation of an Isotope.

Attributes:
z: int

Atomic number

n: int

Neutron number

a: int

Mass number

m: float

Exact mass.

defect: float

Difference between the exact mass and mass number.

abundance: float

Relative abundance of the isotope.

PeriodicTable()

Reference the PeriodicTable object.

Examples

>>> import tidyms as ms
>>> ptable = ms.chem.PeriodicTable()