Source Code

This page provides an overview of the source code available at github.com/NREL/FuelLib.

FuelLib File Organization

  • docs: directory containing the documentation source files

  • fuelData:

    • gcData: directory containing a collection of GCxGC compositional data by weight percentages

    • groupDecompositionData: directory containing a collection of functional group decompositions

    • propertiesData: directory containing measurement or predicted data for validation (see fuelData/dataReferences.md)

  • gcmTableData: directory that contains the pre-tabulated group contributions

  • source: directory containing the main source code files

    • Export4Converge.py: script that exports mixture properties over a range of user specified temperatures for use in Converge simulations.

    • Export4Pele.py: script that exports critical properties and initial mass fraction data for use in Pele simulations.

    • FuelLib.py: class for enabling GCM predictions

  • tests: directory containing CI unit tests for FuelLib. The CI test checks if the cumulative error of property predictions of a new proposed model are less than or equal to the current model.

    • baselinePredictions: directory that contains baseline predictions

    • test_accuracy.py: unit test used in CI for verifying new model predictions preserve accuracy

    • test_baseline.py: generates .csv files for the baseline model predictions, which are stored in baselinePredictions

    • test_functions.py: collection of functions used by test_baseline.py and test_accuracy.py.

  • tutorials: directory containing example scripts that demonstrate how to use FuelLib

    • basic.py: example script that demonstrates basic usage of FuelLib

    • compositionPlots.py: example script that generates composition plots for a given fuel

    • hefaBlends.py: example script that calculates properties of HEFA:Jet-A blends

    • mixtureProperties.py: validation script that calculates properties of single component fuels and mixture properties of multicomponent fuels.

  • paths.py: file that defines paths to various directories and files used in FuelLib

Source Code Auto-Documentation

Click on links below for the full auto-documentation.

FuelLib

Export4Pele

Export4Converge