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Pdep fixes#60

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alongd wants to merge 4 commits intomasterfrom
pdep_fixes
Open

Pdep fixes#60
alongd wants to merge 4 commits intomasterfrom
pdep_fixes

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@alongd
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@alongd alongd commented Aug 24, 2020

Three bug fixes:

  • In schema check_pdep_only_if_gas_phase(), reactor is an object
  • T and P increments in RMG's PDep block must be integers
  • Check the PDep method before using the METHOD_MAP dict

Please don't merge yet, I should add tests

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codecov-commenter commented Aug 24, 2020

Codecov Report

❌ Patch coverage is 25.00000% with 9 lines in your changes missing coverage. Please review.
✅ Project coverage is 70.11%. Comparing base (f44de87) to head (2382664).
⚠️ Report is 63 commits behind head on master.

Files with missing lines Patch % Lines
t3/schema.py 22.22% 5 Missing and 2 partials ⚠️
t3/utils/writer.py 33.33% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master      #60      +/-   ##
==========================================
- Coverage   74.98%   70.11%   -4.87%     
==========================================
  Files           9        9              
  Lines        1491     1499       +8     
  Branches      381      384       +3     
==========================================
- Hits         1118     1051      -67     
- Misses        238      323      +85     
+ Partials      135      125      -10     

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@alongd alongd force-pushed the pdep_fixes branch 3 times, most recently from c7389b3 to 77c68bf Compare August 26, 2020 02:37
alongd added 4 commits August 26, 2020 13:51
not a dict.
Note that it is a dict under `check_species_and_reactors()` which is a root_validator, on line 503. Cofusing, but crashes otherwise
The first iteration will assign the value from this dictionary to pdep['method', the T3 will crash at the second iteration, since the corresponding value is not a key in this dict. Here we first check whether the value is already correct, if not we use the mapping dict.
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