Scripts.DatabankLib.settings.elements module
Elements assigneer functions. Helps Molecule to define brutto formula from existing mapping files and element guesser.
- Scripts.DatabankLib.settings.elements.uname2element(mapping_name: str)[source]
Guess element name from universal atom name.
- Parameters:
mapping_name – name of the mapping, e.g. ‘M_C1’, ‘M_G’
- Raises:
KeyError – if element cannot be determined from mapping name
- Returns:
element name, e.g. ‘C’, ‘N’, …