StereoisomerSettings

User 870ab5b546

05-01-2015 22:00:20

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);

ChemAxon d4fff15f08

06-01-2015 13:33:41

Hi Bob,


 


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


 


Best regards,


Norbert

ChemAxon d51151248d

13-01-2015 13:43:19

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

User 870ab5b546

13-01-2015 14:20:36

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.

ChemAxon d51151248d

27-01-2015 10:34:16

Dear Bob, 


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


Daniel

ChemAxon d51151248d

02-01-2017 10:26:54

Hi Bob, 


The API page has been updated according to your suggestions. 


Best regards, 


Daniel