can init mech with nexus id #113
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Change-Id: I802aa7cf0c16bda21e5bc4c0f08e44b6e93a0e52
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #113 +/- ##
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Coverage 59.13% 59.13%
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Files 106 106
Lines 7652 7652
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Hits 4525 4525
Misses 3127 3127 ☔ View full report in Codecov by Sentry. |
| @@ -211,6 +211,7 @@ def init_from_dict(self, configuration_dict, morphology, auto_mechanism=False): | |||
| mechanism.get("version", None), | |||
| mechanism.get("temperature", None), | |||
| mechanism.get("ljp_corrected", None), | |||
| mechanism.get("id", None), | |||
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shouldn't we update the definition of add_mechanism?
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good catch. solved in latest commit
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Thanks, then we should either call the function using keyword arguments or consider rearranging the function definition of add_mechanism to move auto_parameter to the last position in its parameter list
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Indeed. I added keyword arguments to the function call
Change-Id: I9440211e61ae69a399b897a68b904346621a4b99
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So, you do not plan to add modelid for the mechanisms here? |
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No, we said just nexus_id. |
Change-Id: I03ccff72af19c1c41ffc10dd7e83e640ddb036dd
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The modelid could also be another entry as a fallback if nexus id is deprecated or not present. This can ensure that bpem downloads correct mechanisms. But for now, it is fine to use the nexus id. |
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