During programmatic definition when manually templating, it can be annoying to keep track of the order of identifiers. For example, remembering whether reaction.inputs['my_input'].components[0].identifiers[0] is the name and ...identifiers[1] is the SMILES or vice versa.
A new message helper that is called as message_helpers.set_name(compound, 'blah') and iterates through the compound's identifiers to locate the one with the NAME type and alter the value would be convenient. Similarly, a function message_helpers.set_smiles that does the same for a SMILES-type compound identifier would be handy.
During programmatic definition when manually templating, it can be annoying to keep track of the order of identifiers. For example, remembering whether
reaction.inputs['my_input'].components[0].identifiers[0]is the name and...identifiers[1]is the SMILES or vice versa.A new message helper that is called as
message_helpers.set_name(compound, 'blah')and iterates through the compound's identifiers to locate the one with the NAME type and alter the value would be convenient. Similarly, a functionmessage_helpers.set_smilesthat does the same for a SMILES-type compound identifier would be handy.