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update DECIMER to CDK 2.9 (or better) #16

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egonw opened this issue Jan 2, 2024 · 6 comments
Open
Tracked by #4

update DECIMER to CDK 2.9 (or better) #16

egonw opened this issue Jan 2, 2024 · 6 comments
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@egonw
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egonw commented Jan 2, 2024

cc @Kohulan

@egonw egonw mentioned this issue Jan 2, 2024
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@egonw egonw added the WP2 label Jan 2, 2024
@RvdPloeg
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RvdPloeg commented Jan 6, 2025

The randepict code of decimer was upgraded to use cdk-2.9, see link.

@egonw
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egonw commented Jan 7, 2025

@Kohulan, would it be that simple?

@Kohulan
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Kohulan commented Jan 7, 2025

@egonw Yes. We are using the Jar directly. If there are no major changes to CDK then we don't have to change anything in the code.

@egonw
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egonw commented Jan 7, 2025

@Kohulan, there should not be (m)any in 2.8 -> 2.9, but that is something we want to check and record. How can we best check this?

@Kohulan
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Kohulan commented Jan 7, 2025

@egonw All tests have passed since our original implementation used CDK 2.8. The CDK functionalities we are currently using can be found at https://github.com/Steinbeck-Lab/RanDepict/blob/main/RanDepict/cdk_functionalities.py.

@egonw
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egonw commented Jan 7, 2025

The CDK functionalities we are currently using can be found at https://github.com/Steinbeck-Lab/RanDepict/blob/main/RanDepict/cdk_functionalities.py.

Okay, scanned it and it looks like there have not been APi in the used code here.

@RvdPloeg, a simple test would be to just run the methods. If there are any major API change, that will cause an immediate error.

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