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Here is the output for one of the tests:
Running the following command for test MinGasPdb:
md5sum /website/TESTS/git-ignore-me/pre-push/sequence/cb/Builds/000dade0-1fdd-470c-a272-cf573e48f2df/New_Builds/e6c2e2e8-758b-58b8-b5ff-d138da38dd22/min-gas.pdb | cut -d ' ' -f1
the answer is :
>>>c37c6bce493eabeffe41bafdb8771cb0<<<
the CORRECT answer is :
>>>050c7547d47239ace3dad7d34735ab0b<<<
I often change thing in gmml that means something about the output is different. I'll often have context to know that e.g. index numbering changes are ok, but if the 3D structure isn't exactly the same something is up and I need to investigate. At the gmml level we store the old output and do a diff. This makes is super easy to review diff outputs or load both structures into VMD and update the correct output. With just an md5sum I have no idea. I get that it reduces space, but I would reserve it for cases where the files are large enough to necessitate the inconvenience. Right now I just eyeball the new one and say "sure", which is going to bite us at some point.
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