ordered traceback

[mgiulini]

You are about to submit a new Pull Request. Before continuing make sure you read the contributing guidelines and that you comply with the following criteria:

• You have sticked to Python. Please talk to us before adding other programming languages to HADDOCK3
• Your PR is about CNS
• Your code is well documented: proper docstrings and explanatory comments for those tricky parts
• You structured the code into small functions as much as possible. You can use classes if there is a (state) purpose
• Your code follows our coding style
• You wrote tests for the new code
• tox tests pass. Run tox command inside the repository folder
• -test.cfg examples execute without errors. Inside examples/ run python run_tests.py -b
• PR does not add any dependencies, unless permission granted by the HADDOCK team
• PR does not break licensing
• Your PR is about writing documentation for already existing code 🔥
• Your PR is about writing tests for already existing code

---

Closes #830 by ordering the traceback table according to the last column

[VGPReys]

This is sorting based on last column, which makes sense.
But could it be also sorted based on previous columns for initial models that did not make it until the end of the workflow ?
e.g:
[rigibody]
sampling = 1000
[seletop]
select = 200
[flexref]

in the example, the traceback would sort based on flexref, but randomize order for rigidbody models 201 to 1000.

[mgiulini]

This is sorting based on last column, which makes sense. But could it be also sorted based on previous columns for initial models that did not make it until the end of the workflow ? e.g: [rigibody] sampling = 1000 [seletop] select = 200 [flexref]

in the example, the traceback would sort based on flexref, but randomize order for rigidbody models 201 to 1000.

fair point, it should be quite easy!

[mgiulini]

@VGPReys done! it should be fixed now

[VGPReys]

@VGPReys done! it should be fixed now

Nice amazing !