filename_from_symbols

Full name: ase2sprkkr.ase.symbols.filename_from_symbols

ase2sprkkr.ase.symbols.filename_from_symbols(symbols, max_len=10)[source]

Choose a best short representation of given Symbols.

>>> filename_from_symbols("GeXTeXGeXTeXGeXTeXGeXTeX9", max_len=12)
'{GeXTeX}4X8'
>>> filename_from_symbols("GeXTeXGeXTeXGeXTeXGeXTeX9")
'Ge4Te4X16'
>>> filename_from_symbols("GeXTeXGeXTeXH")
'{GeXTeX}2H'
>>> filename_from_symbols("GeXTeXGeXTeX")
'GeXTeX'
>>> filename_from_symbols("C4H4OC4H4OC2C4H4OC4H4OC2")
'C20H16O4'
>>> filename_from_symbols("CO2")
'CO2'