haddock3
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`validate_parameters_are_not_incompatible` ignoring incompatible value
Module/Workflow/Library affected
gear.prepare_run
Expected behavior
When reading the incompatible parameter, it should check what is the value that raises the incompatibility
Actual behavior
It does not check the value and breaks the execution
Steps to reproduce the behavior
Run a workflow with the following toml
file:
run_dir = "validate-bug"
mode = "batch"
concat = 1
queue_limit = 100
molecules = [
"data/e2aP_1F3G.pdb",
"data/hpr_ensemble.pdb"
]
[topoaa]
Suggestions on how to fix it
Add a new value
property to signal which is the value that raises the incompatibility
Version
2d2f02f38c08c5c1cb41869f99851b8c29974749