openforcefield.utils.structure.read_typelist

openforcefield.utils.structure.read_typelist(filename)[source]

Read a parameter type or decorator list from a file. Lines in these files have the format “SMARTS/SMIRKS shorthand” lines beginning with ‘%’ are ignored

Parameters:
filename : str

Path and name of file to be read Could be file in openforcefield/data/

Returns:
typelist : list of tuples

Typelist[i] is element i of the typelist in format (smarts, shorthand)