Material refactor plus integration tests#17
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shawest merged 8 commits intoshawest:masterfrom Feb 12, 2026
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This pull request moves functionality for creating materials and calculating stopping power into neucbot/material.py. As part of this refactoring, the stopping power calculations now use binary search (using bisect.bisect) rather than sequential search for faster computations on average (logarithmic time rather than linear time).
As some of the implementation details for neucBOT change under the hood (e.g. the use of binary search rather than sequential searching), there needs to be a comprehensive way beyond unit tests to ensure that no regressions are introduced. To do this, outputs files were generated for the following three commands on the current master branch: $ python3 ./neucbot.py -m Materials/Acrylic.dat -c Chains/Th232Chain.dat $ python3 ./neucbot.py -m Materials/Acrylic.dat -l AlphaLists/Rn220Alphas.dat $ python3 ./neucbot.py -m Materials/Acrylic.dat -l AlphaLists/Bi212Alphas.dat These output files will serve as integration tests. As more neucBOT refactoring and enhancements occur, they should not change the expected outputs of these commands. In a subsequent commit, these tests will be required to pass in all Github PRs before merging.
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mpiercy827
commented
Feb 2, 2026
mpiercy827
commented
Feb 2, 2026
The stopping power calculation for a material at a given alpha energy level was incorrectly copied/modified when being moved from neucbot.py to neucbot/material.py, and this was caught by the integration tests added in an earlier commit. The unit tests have been modified accordingly and the integration tests are almost passing, they are off by ~1e-16.
The commit populates stopping power lists when a MaterialComposition is created so that they don't have to be recreated/recalculated for every alpha energy step (which is the current implementation).
mpiercy827
commented
Feb 4, 2026
This commit normalizes the abundance of an isotope between 0 and 1 in the element.abundance() function, and ensures that isotope fractions in a MaterialComposition object are also between 0 and 1. The only diffs present in the integration tests at this point are due to floating point precision limitations and can likely be ignored.
and reflect the current state of the code.
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This pull request factors material-related code (including the calculation of stopping powers) into its own
neucbot/material.pyfile, and also adds integration tests to ensure that any change in functionality does not impact the expected output of neucBOT.More details can be found in the commit messages.