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Our iPython notebooks must be updated #1533

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alongd opened this issue Jan 18, 2019 · 4 comments
Closed

Our iPython notebooks must be updated #1533

alongd opened this issue Jan 18, 2019 · 4 comments

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@alongd
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alongd commented Jan 18, 2019

The generateReactions.ipynb under the ipyhton folder import from cantherm, hence crashing. We should also make an overhaul of all notebooks to at make sure none crashes with the default settings.

@alongd
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alongd commented Jan 23, 2019

My initial observations are:

  • canteraSensitivityComparison crashes since it imports from rmgpy.tools.sensitivity import runSensitivity
  • generateReactions crashes since it imports from rmgpy.cantherm.output import prettify
  • combustion_model_and_ignition_delay_demo crashes since it imports from rmgpy.tools.sensitivity import runSensitivity
  • findParameterSourcesAndAssignUncertainies crashes with a KeyError

@mcs16
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mcs16 commented Jan 31, 2019

localUncertainty.ipynb crashes at Step 1 with the following error: "ImportError: No module named dde.predictor"

@alongd alongd changed the title An RMG ipython notebook still imports from cantherm, not arkane Our iPython notebooks must be updated Jan 31, 2019
@mliu49
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mliu49 commented Jan 31, 2019

@mcs16, you're probably missing the new dependency for machine learning thermo. You can install it with conda install -c rmg dde with your rmg_env activated.

@mliu49
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mliu49 commented Jul 25, 2019

I think all of the mentioned notebooks have been updated in #1541 and #1593.

@mliu49 mliu49 closed this as completed Jul 25, 2019
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