Code documentation
Modules
- elementMass.elements.calculate_weight(compound: str) float[source]
Get the atomic mass of a compound or element
- Parameters:
compound (str) – chemical notation of a compound or element
- Returns:
weight in atomic mass units
- Return type:
float
- elementMass.elements.cation_names(compounds: List[str]) List[source]
Get the name of the first cation for each element in
compounds- Parameters:
compound (list of str) – chemical notation of compounds or elements
- Returns:
names of cations
- Return type:
list
- elementMass.elements.cation_numbers(compounds: List[str]) Series[source]
Get the cation amount in compounds
- Parameters:
compound (list of str) – chemical notation of an oxide or element
- Returns:
number of cations in each compound
- Return type:
pandas.Series
- elementMass.elements.compound_weights(compounds: List[str]) Series[source]
Get the atomic mass of a compounds or elements
- Parameters:
compound (list of str) – chemical notation of compounds or elements
- Returns:
weights in atomic mass units
- Return type:
pandas.Series
- elementMass.elements.get_oxide_name(ion: str) str[source]
Convert an ion name to oxide. If ion charge is not included in the ion name, ElementMass’s default oxidation states are used.
- Parameters:
ion (str) – ion name, charge can optionally be included in the name e.g. ‘Fe3’
- Returns:
name of oxide
- Return type:
str