give option to specify custom chemistry_model paths#612
give option to specify custom chemistry_model paths#612baperry2 merged 1 commit intoAMReX-Combustion:developmentfrom
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I needed this 2 weeks ago! Thanks for adding this option. |
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Pull request overview
This PR introduces the USE_CUSTOM_CHEMISTRY option to allow users to specify custom chemistry model paths outside the standard PelePhysics/Mechanisms directory. This enhancement makes it easier for users to work with nonstandard chemistry models without modifying the PelePhysics submodule.
Key Changes
- Added conditional logic in the makefile to handle custom chemistry model paths when
USE_CUSTOM_CHEMISTRY = TRUE - Updated documentation across multiple tutorial files to explain the new feature
- Modified path resolution to use direct paths for custom chemistry models while maintaining backward compatibility with standard models
Reviewed changes
Copilot reviewed 6 out of 6 changed files in this pull request and generated 2 comments.
Show a summary per file
| File | Description |
|---|---|
| Exec/Make.PeleLMeX | Implements conditional logic to handle custom chemistry paths using Bpack/Blocs directly when USE_CUSTOM_CHEMISTRY = TRUE, otherwise using the standard PPdirs with Mechanisms/ prefix |
| Docs/sphinx/manual/Tutorials_TripleFlame.rst | Documents the USE_CUSTOM_CHEMISTRY option and explains that Chemistry_Model can be interpreted as a path to custom models |
| Docs/sphinx/manual/Tutorials_HotBubble.rst | Documents the USE_CUSTOM_CHEMISTRY option with explanation of custom chemistry model usage |
| Docs/sphinx/manual/Tutorials_FlowPastCyl.rst | Documents the USE_CUSTOM_CHEMISTRY option with explanation of custom chemistry model usage |
| Docs/sphinx/manual/Tutorials_FlameSheet.rst | Documents the USE_CUSTOM_CHEMISTRY option with explanation of custom chemistry model usage |
| Docs/sphinx/manual/Tutorials_BFSFlame.rst | Documents the USE_CUSTOM_CHEMISTRY option with explanation of custom chemistry model usage |
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| Chemistry_Model = drm19 | ||
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| Here, the model ``drm19``, contains 21 species and describe the chemical decomposition of methane. | ||
| Here, the model ``drm19``, contains 21 species and describe the chemical decomposition of methane. Advanced users may also specify |
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Subject-verb agreement error: "describe" should be "describes" since the subject is singular ("the model").
| Chemistry_Model = drm19 | ||
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| Here, the model ``drm19`` contains 21 species and describe the chemical decomposition of methane. | ||
| Here, the model ``drm19`` contains 21 species and describe the chemical decomposition of methane. Advanced users may also specify |
There was a problem hiding this comment.
Subject-verb agreement error: "describe" should be "describes" since the subject is singular ("the model").
| Here, the model ``drm19`` contains 21 species and describe the chemical decomposition of methane. Advanced users may also specify | |
| Here, the model ``drm19`` contains 21 species and describes the chemical decomposition of methane. Advanced users may also specify |
d-montgomery
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d-montgomery
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Works as expected and is a nice improvement to usability. My only suggestion, which doesn't need to be part of this PR, is that it would be nice if there was a list of some of the GNUmakefile options in LMeXControls.rst for quicker referencing.
Currently, users specify a
Chemistry_Modelfrom those found inPelePhysics/Mechanism. This PR gives the user the option to activateUSE_CUSTOM_CHEMISTRY = TRUE, in which caseChemistry_Modelis interpreted as a path to an arbitrary location. The goal is to make it easier for users to use nonstandard chemistry models more easily without having to make modifications to the PelePhysics submodule.