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Refactor the mechanism conversion scripts #505

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rs028 opened this issue Sep 22, 2023 · 1 comment
Open

Refactor the mechanism conversion scripts #505

rs028 opened this issue Sep 22, 2023 · 1 comment

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@rs028
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rs028 commented Sep 22, 2023

The mechanism conversion script (mech_converter.py) needs to be refactored. At the moment it consists of a giant convert_to_fortran() function, which does a lot of things in a sequence to convert the chemical mechanism from facsimile to fortran format.
In addition, two other scripts have been added to the conversion process and are called within convert_to_fortran():

  1. fix_mechanism_fac.py to preprocess the facsimile file
  2. kpp_conversion.py to support an alternative kpp format

The whole thing is hard to maintain/modify and probably not very efficient. The code should be split in smaller functions and reorganized accordingly.

@rs028 rs028 added this to Roadmap Sep 22, 2023
@rs028 rs028 moved this to Compilation and Execution Issues in Roadmap Sep 22, 2023
@rs028 rs028 added this to the version 1.5 milestone Sep 26, 2023
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rs028 commented Sep 27, 2023

Issue #487 is also relevant and cna be addressed at the same time.

@rs028 rs028 modified the milestones: version 1.5, version 1.6 Dec 19, 2023
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