Regression tests for the Reduce repository.
There is a run.sh BASH script that will build the original version of
Reduce to compare against (defaults to commit e31d8e0ef14e6e8b85634dea502cadac9cf7832b,
but adding a second command-line argument can specify another git tag) against
a more recent version (defaults to the master branch but a first command-line argument
can specify another git tag).
This script compiles both versions and then runs each against every file in the test_files directory. If the standard outputs of either run differ by other than the original 'reduce' version line, it is marked as a failure. If there are no failures, then Success! is printed as the last output, otherwise a message telling how many failed is written.
In any case, all of the standard output and standard error files are written into an outputs directory, along with the standard-output file that have the reduce line stripped off.
The script exits with code 0 on success and the number of failures if any comparison failed.
Most test files are from a set of around 200 standard files that the Richardsons sent. Others are more specific.
- 7k00 - Very large file with HET atoms that have special charges
Some have unusual structures and we want to make sure that we can continue to read them properly.
- 2mr5 - NMR structure with 20 models
- 1b5s - atoms only out to Cbeta (at 4.4Å resolution)
- 3w6s - Phe A 105 is missing just the Ce2 atom in the ring