Question about new StereoisomerSettings class. Many of the methods return a new StereoisomerSettings object. Is the original StereoisomerSettings object modified by the method as well? In other words, are these two statements equivalent?
settings = settings.setProtectDoubleBondStereo(true);
I have moved the topic to the appropriate team. They will answer your question shortly.
Yes, the two methods are equivalent. See a typical usage example:
StereoisomerSettings settings = StereoisomerSettings.create()
Please note that this class is marked with @Beta annotation, so it can be changed or removed in the near future.
Thanks for your reply. Two suggestions:
- Update the API documentation to reflect what you have told me (original object is modified AND new object is returned -- or is it the original object that is returned?).
- I changed my code to use StereoisomerSettings and StereoisomerEnumeration because the method I formerly used, StereoisomerPlugin, was marked as deprecated. If StereoisomerSettings and StereoisomerEnumeration are beta and might be removed, then it seems inappropriate to mark StereoisomerPlugin as deprecated; and if StereoisomerPlugin is deprecated, it seems that we should be able to count on its replacement(s) being available going forward.
Thank you for your valuable suggestions. We will update the API ASAP.
The API page has been updated according to your suggestions.