Using CDK 1.3.7
IChemObject.setProperty(...) uses a Hashmap instead of a LinkedHashMap, Therefore , it does not guarantee that the order will remain constant over time. Can this be fixed?
Can you elaborate why ordering is important?
I’m trying to create an sd file using CDK 1.3.7 and set some properties for a structure. However, the order of the properties is not kept. The order of the properties is important for my case. The sd that is created has a lot of properties and if the order is not kept it makes it hard for the user to read the file. Can this be fixed in a future release?
Hmm, this is an easy enough change, but moving to LinkedHashMap will cause a performance hit. I think it would be useful to send a mail to the list (refering to this "bug") and raise this point and see what the group thinks.
My personal view is that it is unecessary - since one could hust get the key set and sort that. However, if for some reasons, there is a general need for in-order SD tags then we could update the code
LinkedHashMap is now used in CDK 1.3.x.