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Update sas_gen.py #2617

Merged
merged 2 commits into from
Sep 20, 2023
Merged

Update sas_gen.py #2617

merged 2 commits into from
Sep 20, 2023

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timsnow
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@timsnow timsnow commented Sep 18, 2023

Adding dictionary lookup for speed increases

@timsnow
Update sas_gen.py
db16caa 
Adding dictionary lookup for speed increases
@timsnow timsnow requested a review from butlerpd September 18, 2023 15:19
@wpotrzebowski
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I've tested this PR on https://github.com/Andre-lab/hbv_trSAXS/blob/master/HBVCP_empty_assembly/bayesian_models/capsid_T4.pdb and it produced
21:29:00 - WARNING: Warning: set the sld of C to zero
for each entry. (thus the loading was slow)

@timsnow
Correction for Na to NA
6029972 
Small typo lead to continual exceptions being raised
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timsnow commented Sep 19, 2023

Caught that, have amended a typo.

wpotrzebowski
wpotrzebowski approved these changes Sep 19, 2023
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After the latest fix loading works fine

@krzywon krzywon merged commit 22fe701 into main Sep 20, 2023
@krzywon krzywon deleted the Sasgen-Fix branch September 20, 2023 11:31
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@wpotrzebowski wpotrzebowski wpotrzebowski approved these changes

@butlerpd butlerpd Awaiting requested review from butlerpd

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@timsnow @wpotrzebowski @krzywon