Re: [Cdk-user] Getting warning from AminoAcidCountDescriptor

2022-11-12 Thread Staffan Arvidsson McShane
No, it's not the only warning in every use case that I have, I see others as well. But it is consistently there for every time I instantiate that particular class. Having the full cdk-bundle (without exclusions) and the small test-example with only calling the no-arg constructor. Should be easy

Re: [Cdk-user] Getting warning from AminoAcidCountDescriptor

2022-11-12 Thread Egon Willighagen
On Thu, 10 Nov 2022 at 14:02, John Mayfield wrote: > Can you to open a GitHub issue, thanks. It's likely harmless but should be > silent so something we can tweak. > Set aside the issue, it *should* be silent... this is the code:

Re: [Cdk-user] Getting warning from AminoAcidCountDescriptor

2022-11-10 Thread Staffan Arvidsson McShane
Hi John, I will! //Staffan Den tors 10 nov. 2022 kl 14:01 skrev John Mayfield < john.wilkinson...@gmail.com>: > Hi Staffan, > > Can you to open a GitHub issue, thanks. It's likely harmless but should be > silent so something we can tweak. > > John > > On Thu, 10 Nov 2022 at 12:39, Staffan

Re: [Cdk-user] Getting warning from AminoAcidCountDescriptor

2022-11-10 Thread John Mayfield
Hi Staffan, Can you to open a GitHub issue, thanks. It's likely harmless but should be silent so something we can tweak. John On Thu, 10 Nov 2022 at 12:39, Staffan Arvidsson McShane < staffan.arvids...@gmail.com> wrote: > Hi, > > I'm getting the following warning every time I'm instantiating

[Cdk-user] Getting warning from AminoAcidCountDescriptor

2022-11-10 Thread Staffan Arvidsson McShane
Hi, I'm getting the following warning every time I'm instantiating the AminoAcidCountDescriptor class: org.openscience.cdk.io.cml.CMLHandler WARN: Detected unknown convention: cdk:substructureList I'm not a chemist so I cannot tell if it actually outputs the correct descriptor results, but at