stko.is_valid_xtb_solvent

stko.is_valid_xtb_solvent(gfn_version, solvent_model, solvent)

Check if solvent is valid for the given GFN version.

See also

• Valid solvents: https://xtb-docs.readthedocs.io/en/latest/gbsa.html

Parameters:

• gfn_version (int) – GFN parameterization version. Can be: 0, 1 or 2.

• solvent_model (str) – Solvent model being used.

• solvent (str) – Solvent being tested.

Returns:

True if solvent is valid.

Return type:

bool