StereoisomerSettings

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.setProtectDoubleBondStereo(true);

settings = settings.setProtectDoubleBondStereo(true);

Hi Bob,

 

I have moved the topic to the appropriate team. They will answer your question shortly.

 

Best regards,

Norbert

Dear Bob, 

Yes, the two methods are equivalent. See a typical usage example:

StereoisomerSettings settings = StereoisomerSettings.create()
                                    .setMaxStereoisomerCount(10)
                                    .setOutputIn3D(true);

Please note that this class is marked with @Beta annotation, so it can be changed or removed in the near future.

Best regards, 

Daniel

Thanks for your reply. Two suggestions:

1. 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?).


2. 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.

Dear Bob, 

Thank you for your valuable suggestions. We will update the API ASAP.

Daniel

Hi Bob, 

The API page has been updated according to your suggestions. 

Best regards, 

Daniel