Add Protocol Errors
#441
Add Protocol Errors
#441
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## main #441 +/- ##
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Coverage 98.50% 98.51%
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Files 37 38 +1
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gufe/protocols/errors.py
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| # Protocol Results Errors | ||
| class MissingProtocolUnitError(Exception): |
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Do you mean a missing UnitResult?
gufe/protocols/errors.py
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| # Protocol Errors | ||
| class ProtocolValidationError(Exception): |
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Should we be subclassing out of a "BaseGufeException" type? I'm thinking it might be useful to have a catch-all that isn't a Exception in some cases.
For example - it might be good for execute_DAG to capture all of these and prevent trying to restart the DAG (i.e. if these are known deterministic failures, then we should assume they will happen over and over again).
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| # For details, see https://github.com/OpenFreeEnergy/gufe | ||
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| class BaseGufeError(Exception): |
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Perhaps change this one to ProtocolError, since it is the undifferentiated base class for all gufe.protocol errors?
| class ProtocolSetupError(BaseGufeError): | ||
| """Error when executing the setup unit of the protocol.""" | ||
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| class ProtocolExecutionError(BaseGufeError): | ||
| """Error when executing the production unit of the protocol.""" | ||
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| class ProtocolAnalysisError(BaseGufeError): | ||
| """Error when trying to perform some analyses after the protocol has been executed.""" |
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Perhaps replace these with a single ProtocolUnitError, since different protocols may feature structure that don't map directly onto these 3 categories?
| MissingUnitResultError: | ||
| if there are no results for that protocol unit | ||
| ProtocolUnitFailureError: | ||
| if all units failed |
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| if all units failed | |
| if there are only failures for that protocol unit |
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| # Protocol Results Errors | ||
| class MissingUnitResultError(BaseGufeError): | ||
| """Error when a ProtocolDAGResult is missing a unit result.""" |
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| """Error when a ProtocolDAGResult is missing a unit result.""" | |
| """Error when a ProtocolDAGResult has no ProtocolUnitResult(s) for a given ProtocolUnit.""" |
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| class ProtocolUnitFailureError(BaseGufeError): | ||
| """Error when a ProtocolDAGResult contains a failed protocol unit.""" |
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| """Error when a ProtocolDAGResult contains a failed protocol unit.""" | |
| """Error when a ProtocolDAGResult has only ProtocolUnitFailure(s) for a given ProtocolUnit.""" |
| class ProtocolAnalysisError(BaseGufeError): | ||
| """Error when trying to perform some analyses after the protocol has been executed.""" | ||
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May make sense to make a ProtocolDAGResultError(ProtocolError) class, and make the exceptions below subclass it?
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@ijpulidos since this PR addresses #385, would you be willing to offer your feedback on this one? |
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@hannahbaumann since you're working in detail on protocols, would you be willing to offer feedback on our choices here? |
Fixes #385 by adding specific protocol execution and results errors.
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