[WIP] Markush - #49
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TimurGimadiev wants to merge 5 commits into
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X atoms not implemented yet |
smiles generator fixed. removed overengineering. TODO: finish MRV and MarkushContainer.
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Partially refactored. API discussion and use cases are required! |
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Let`t start with Markushi
As a feature u can do str(MarkushiContainer), then put it to Marvin and it will show the structure.
Then you can save mrv and parse it back to MarkushiContainer (not perfect, but work)
Looking back for comments. I know that it has copy paste code, but I think it is much more safe for the first period to avoid breaking of native classes.