SetCompoundsChemlib()¶

This is the one function defined on the highest level of ProMod3’s module hierarchy. It is used to load an OST compound library to avoid running Python code via the ancient OST wrapper. Applying this function at top-level, we can set a decent default by CMake plus the library is immediately available just by invoking any ProMod3 module. You do not need to call this function, only if you want to load a different chemical components dictionary.

promod3.SetCompoundsChemlib(path_to_chemlib)¶

Load a compounds library. Does not return anything, the library is just enabled globally.

Parameters:

path_to_chemlib (str) – Points to the file to be loaded.