Currently the Calculator class is used to store certain parameters which are used for both the generate_structures() and the analyse_structures() function. But to make the execution more independent, it would be great to provide the arguments from the initialization as optional arguments for both functions.
Currently the
Calculatorclass is used to store certain parameters which are used for both thegenerate_structures()and theanalyse_structures()function. But to make the execution more independent, it would be great to provide the arguments from the initialization as optional arguments for both functions.