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…an store a map in the 'RGroup' we can reuse this SGroup and get nicer rendering.
…oes split the "layout" package but in future (CDK v3) they will all be collapsed together.
…vided default if needed.
…tom which is sprouted off the structure. This is very useful in sketchers (JChemPaint) but for now we need this for attachment points. The sprouting is not super great yet but we can improve it in future.
…t points (wavy line across bond).
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Good to go - just cleaned up the history/rebased. |
…rom the explicit attachment points (wiggly crossed line).
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Some required improvments to RGroup handling (for JChemPaint).
These changes setup explicit attachment atoms (wiggly line on a bond) for RGrgoup substituents. In MDL they are not stored this way so we need to add/remove them when we read/write and generate the confermations.
Likewise bond attach order specifies the bond labelling/order when a R group has multiple leaving bonds.
Example of what it looks like in JChemPaint.