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Behavior of ChemmineR::groups() changed in version 3.53.1. #54

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Aariq opened this issue Jul 13, 2023 · 2 comments · Fixed by #67
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Behavior of ChemmineR::groups() changed in version 3.53.1. #54

Aariq opened this issue Jul 13, 2023 · 2 comments · Fixed by #67

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@Aariq
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Aariq commented Jul 13, 2023

girke-lab/ChemmineR#15

Might need to add a conditional that checks what version of ChemmineR is installed and does things differently. Check by installing dev version of Bioconductor + ChemmineR

# The following initializes usage of Bioc devel
BiocManager::install(version='devel')

BiocManager::install("ChemmineR")
@Aariq Aariq changed the title Behavior of ChemmineR::groups() changing in dev version. Check for compatibility Behavior of ChemmineR::groups() changed in version 3.53.1. Sep 20, 2023
@Aariq
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Aariq commented Sep 20, 2023

We need to either require ChemmineR >= 3.53.1 or do some checking of the installed version of ChemmineR and run different code depending on version. Leaning toward the former. Is that ok with you @KristinaRiemer?

@Aariq
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Aariq commented Sep 20, 2023

Ugh, nevermind. I didn't understand how Bioconductor works and I thought (mistakenly) that 3.53.1 was released, but it is still the dev version. I guess best solution for now is to check package version and run the correct code depending on version.

@Aariq Aariq linked a pull request Sep 20, 2023 that will close this issue
@Aariq Aariq closed this as completed in #67 Sep 21, 2023
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