从 Python 的许多选项中清除 select 的方法

Question

I work in data science and a typical problem I encounter while cleaning up Pandas dataframes is converting columns from one string format to another (in particular, the strings I'm looking at are chemical identifiers and each of them represents a molecule in a obscure way, so it's not like the strings are easily understandable just by looking at them). I have many small functions (inherited from a chemical library called RDKit) to convert between formats, and there is roughly one function per conversion pair (ie input format and output format). This is too many function names to remember. I want to write a wrapper function that aggregates all of them into a single, larger one with a clean design and user interface.

The question is: given an input and output format, what would be a clean way to select from a many possible small conversion functions? Should I use a dictionary that stores the small conversion function names?

For example, let's say I want to convert from the format "smiles" to the format "inchi keys", which I currently do as follows:

from rdkit import Chem


def smile2inchikey(smile):
    mol = Chem.MolFromSmiles(smile)
    inchikey = Chem.inchi.MolToInchiKey(mol)
    return inchikey

Instead of manually calling smile2inchikey (or Chem.MolFromSmiles and Chem.inchi.MolToInchiKey ), I would like to write the following function:

def fancy_multiconverter(input_string, input_format, output_format):
    pass

which returns input_string (given in the format input_format ) to the format output_format ).

Answer 1

Maybe this is also what @Quinten Cabo meant, but you could use one unit that you convert to every time.

You could then use a dictionary with functions for converting into and from this unit:

convert_to_reference = {
                         "format1": function1,
                         "format2": function2,
                       }
convert_from_reference = {
                           ...
                         }
reference = convert_to_reference[input("input format: ")](input("input value: "))
output = convert_from_reference[input("output format: ")](reference)
print(output)