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edit molecules #279

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nicolejung opened this issue Dec 16, 2024 · 2 comments
Open

edit molecules #279

nicolejung opened this issue Dec 16, 2024 · 2 comments

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

@kkthek
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kkthek commented Dec 20, 2024

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

@kkthek
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kkthek commented Dec 23, 2024

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.

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