Codecov Report

❌ Patch coverage is 92.30769% with 2 lines in your changes missing coverage. Please review.
✅ Project coverage is 75.05%. Comparing base (4b6712f) to head (0386a7d).
⚠️ Report is 31 commits behind head on main.

@@            Coverage Diff             @@
##             main    #1964      +/-   ##
==========================================
+ Coverage   74.99%   75.05%   +0.06%     
==========================================
  Files         450      450              
  Lines       56237    56259      +22     
  Branches     9299     9302       +3     
==========================================
+ Hits        42175    42226      +51     
+ Misses      10930    10900      -30     
- Partials     3132     3133       +1     

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Thanks for the review and feedback!

Regarding temporary files, I confirmed that the following works (at least on macOS), which should simplify things somewhat.

temp_file = tempfile.NamedTemporaryFile(suffix='.yaml')
solarr.save(temp_file.name, name='solarr', overwrite=True)
with open(temp_file.name, 'r') as fid:
    yaml_data = fid.read()

That's weird, copying your code verbatim doesn't work on my system (MacOS 15.6.1, Python 3.11.10, cantera 3.1.0)

import tempfile
import cantera as ct

sol = ct.Solution('gri30.yaml') 
solarr = ct.SolutionArray(sol, 10)

temp_file = tempfile.NamedTemporaryFile(suffix='.yaml')
solarr.save(temp_file.name, name='solarr', overwrite=True)
with open(temp_file.name, 'r') as fid:
    yaml_data = fid.read()

and gives the following error

CanteraError: 
*******************************************************************************
InputFileError thrown by AnyMap::fromYamlFile:
Error on line 0 of /var/folders/q9/b2jlk94n25n5w5bjvp02rsc00000gn/T/tmp1tcb07ez.yaml:
bad conversion
|  Line |
*******************************************************************************

However, with an os.unlink added back in, it works:

import tempfile
import cantera as ct
+ import os

sol = ct.Solution('gri30.yaml') 
solarr = ct.SolutionArray(sol, 10)

temp_file = tempfile.NamedTemporaryFile(suffix='.yaml')
+ os.unlink(temp_file.name)
solarr.save(temp_file.name, name='solarr', overwrite=True)
with open(temp_file.name, 'r') as fid:
    yaml_data = fid.read()

I'll make the necessary changes implementing your requests.

@mruijzendaal ... looks like there was an issue on my side (apparently I scrambled file names while testing; I had run into a similar error). I pushed a fix to the C++ code base for this PR that enables writing to empty files. I can now confirm that the following works:

import tempfile
import cantera as ct

sol = ct.Solution('gri30.yaml')
solarr = ct.SolutionArray(sol, 10)

with tempfile.NamedTemporaryFile(suffix='.yaml') as temp_file:
    solarr.save(temp_file.name, name='solarr', overwrite=True)
    with open(temp_file.name, 'r') as fid:
        yaml_data = fid.read()

You can verify that temp_file is gone outside the context manager.

@mruijzendaal … Turns out that temporary file access is more restrictive on Windows, so additional tweaks were necessary.

@bryanwweber / @speth … since I pushed to this PR also, would either of you provide a final review so this can be merged?

@bryanwweber … agreed that writing to a buffer would be useful, but that won’t change the structure of the pickled object (the dictionary key names fed to the pickle are the only things we need to settle on for good). Thus, I believe that using the temporary file output is an adequate solution.

Thanks for working with me on this one, and thanks for all the work maintaining Cantera. It is very useful for me and my colleagues at Maastricht University in The Netherlands. I hope to be able to contribute more in the coming months.