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Add source directory, rename groupContribution class to fuel - #21

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d-montgomery merged 9 commits into
NatLabRockies:mainfrom
d-montgomery:add-src-dir
Aug 27, 2025
Merged

Add source directory, rename groupContribution class to fuel#21
d-montgomery merged 9 commits into
NatLabRockies:mainfrom
d-montgomery:add-src-dir

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This includes some breaking changes and reorganization of files (last time I promise).

Breaking changes:

  • Creation of a source directory. This is necessary for organization as we build toward including multi-component evaporation models within FuelLib.
  • In FuelLib.py, the groupContribution class was renamed fuel. This was motivated by the fact that the class is much more than GCM. It provides a characterization of the fuel. All instances of groupContribution must now be called using the following:
    import FuelLib as fl
    # Old instance
    fuel = fl.groupContribution(<fuel_name>)
    # New instance
    fuel = fl.fuel(<fuel_name>)
    
    This does also makes the documentation more clear.

Path Management

  • There is now a file FuelLib/paths.py that creates variables for the various paths. Any file that imports paths automatically imports the source directory.

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d-montgomery requested a review from Copilot August 27, 2025 18:35

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d-montgomery and others added 5 commits August 27, 2025 12:42
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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d-montgomery requested a review from Copilot August 27, 2025 19:13

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d-montgomery requested a review from Copilot August 27, 2025 19:39

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d-montgomery requested a review from Copilot August 27, 2025 19:53

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Pull Request Overview

This PR implements a major reorganization of the FuelLib codebase by creating a source directory and renaming the main class from groupContribution to fuel. The changes include centralized path management and updates to all affected files.

  • Introduces a source directory containing the main source code files
  • Renames the groupContribution class to fuel for clearer semantics
  • Implements centralized path management through a new paths.py file

Reviewed Changes

Copilot reviewed 16 out of 16 changed files in this pull request and generated 3 comments.

Show a summary per file
File Description
source/FuelLib.py Renamed class from groupContribution to fuel and updated path handling
source/Export4Pele.py Updated class references and improved export functionality with metadata
source/Export4Converge.py Updated class references and improved export functionality
paths.py New centralized path management file
tutorials/*.py Updated import paths and class references
tests/*.py Updated import paths and class references
docs/*.rst Updated documentation to reflect class rename and reorganization

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Comment thread source/Export4Converge.py
Comment thread source/FuelLib.py
Comment thread source/FuelLib.py
@d-montgomery
d-montgomery merged commit ea54be3 into NatLabRockies:main Aug 27, 2025
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@d-montgomery
d-montgomery deleted the add-src-dir branch August 27, 2025 20:46
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2 participants