Yaeos

to_yaeos module.

to_yaeos(mol_subgroups_list: List[GibbsFragmentationResult]) → str

Obtain the Fortran source code for yaeos groups definition.

yaeos: https://github.com/ipqa-research/yaeos

Parameters:

mol_subgroups_list (List[GibbsFragmentationResult]) – List of ugropy GibbsModel solutions (UNIFAC, PSRK, Dortmund, etc).

Returns:

Yaeos Fortran source code.

Return type:

str