edit molecules

[nicolejung]

editing a molecule is sometimes tricky and needs investigation (issue not perfectly clear - perhaps to be discussed next Friday)

[kkthek]

editing of molecules can be tricky if they are part of a collection. what to do in this case? needs investigation

[kkthek]

We have to distinguish 2 cases:

• The molecule needs a change in the common part. In this case the molecule collection should be modified. It'll update all dependant molecules automatically.
• The molecule needs a change in one or more of the R-Groups. Then the bindings should be changed accordingly. The old molecule should be deleted then manually.

Conclusion:
We have to forbid direct modfications of molecules which are part of a collection because we cannot control the type of change. The result would be possibly inconsistent.

In case someone draws a molecule which is identical to an existing molecule from a collection. In this case the molecule is re-used but cannot be changed later. If the user wants to change this molecule, he has to draw a new one. The disadvantage is that its usages are not automatically updated.

[nicolejung]

could it be a solution to change the workflow for groups? E.g. changes do not apply to the molecules but new ones are created instead?