Create a compound alternative group selection

Build a CompoundGroupSelection entry, used inside a CompoundProperties to record which alternative is selected within an alternative group. Internal machinery only: the friendly alternatives selection in add_simulation()'s compounds argument is the user-facing way to select an alternative; this constructor and the COMPOUND_* group constants it takes are not part of the public API.

Usage

create_compound_group_selection(group_name, alternative_name)

Arguments

group_name

Character. Name of the alternative group (required), for example "COMPOUND_SOLUBILITY".

alternative_name

Character. Name of the selected alternative within the group (required).

Value

A CompoundGroupSelection object.