gmxapi-62 Stop condition hook (work in progress) #18
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This should be how the client code will need to be updated to use the automatically provided stop signaller, but the gmxapi side isn't done yet.
4 tasks
Builds against the corresponding commit for gromacs-gmxapi. Needs testing.
Test some invariants. Update some docs / comments.
This is mostly what the updates for modular stop condition code will look like in the short term. There will be another update to specify the name of the output to be bound. The code should be effective as a model and should build against the corresponding commit in gromacs-gmxapi, but the newly described facility will not yet have an effect.
Add some checks for initialized objects. Note that an uninitialized py::object apparently has a sensible implicit bool conversion that we can use. To do: we need to make sure to provide some warning or stronger error if we don't find the subscribers we are expecting. Right now, we will just silently attach a no-op to the workflow in some circumstances.
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This should be how the client code will need to be updated to use the
automatically provided stop signaller, but the gmxapi side isn't done
yet.