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Use metadata params for submission #158

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merged 13 commits into from
Dec 14, 2023

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RobbinBouwmeester
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if input_format == "MaxQuant":
params = maxquant.extract_params(input_file)
# elif input_format == "AlphaPept":
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also availabe. Would you like to have a dictionary of extract_params functions in the module preteobench.io.params? Then you could avoid the long block of if/else statements and handle potential key-errros.

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Good point! Will change.

RobbinBouwmeester and others added 2 commits December 11, 2023 16:38
- Many variable names were changed, among others renamed search engine to software
- This means that results.json has new entries, see Proteobot/Results_quant_ion_DDA#117
- TODO: still need to adapt the tests and template to the new variable names
@scaramonche
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This branch only works if you use the results.json from Proteobot/Results_quant_ion_DDA#117 locally (save it and point to it in DDA_QUANT_RESULTS_PATH and uncomment the two places where it is used in module.py).

@scaramonche scaramonche requested a review from enryH December 11, 2023 21:21
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@RobbinBouwmeester I think it is pretty much done. Tests should work once the results.json in the repo is replaced. Note that the biggest change comes from using software_name as the variable that contains the input_format (MaxQuant, etc.) instead of search_engine as used until now.
I did not change the template yet, but I can also do that later.

@@ -343,6 +359,8 @@ def clone_pr(
current_datapoint = temporary_datapoints.iloc[-1]
current_datapoint["is_temporary"] = False
for k, v in datapoint_params.__dict__.items():
if k == "software_name":
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This needs to be removed?

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Indeed, fixed in a (hopefully) more elegant way.

@@ -380,6 +398,8 @@ def write_json_local_development(self, temporary_datapoints, datapoint_params):

# Update parameters based on parsed params
for k, v in datapoint_params.__dict__.items():
if k == "software_name":
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This needs to be removed?

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I think we are good to go. Maybe @enryH can have a final look as an independent observer?

@RobbinBouwmeester RobbinBouwmeester merged commit 00487a5 into main Dec 14, 2023
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@RobbinBouwmeester RobbinBouwmeester deleted the use-metadata-params-for-submission branch December 14, 2023 09:51
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3 participants