Raised meaningful error for short peptide stretch
Fixes #5046
Changes made in this Pull Request:
- Added a block for raising value error inside init in dssp.py
- Checked the length of
ag.residues, and just raised a simple value error message showing the minimum required residues
PR Checklist
- [x] Issue raised/referenced?
- [x] Tests updated/added?
- [x] Documentation updated/added?
- [x]
package/CHANGELOGfile updated? - [x] Is your name in
package/AUTHORS? (If it is not, add it!)
Developers Certificate of Origin
I certify that I can submit this code contribution as described in the Developer Certificate of Origin, under the MDAnalysis LICENSE.
📚 Documentation preview 📚: https://mdanalysis--5163.org.readthedocs.build/en/5163/
@orbeckst @marinegor please check this, and do I need to add extra tests for this? and also codecov is failing, so I think it would be better if I add tests right?
and please tell me what to write in CHANGELOG, cause I'm confused about the format.... :-)
Codecov Report
:white_check_mark: All modified and coverable lines are covered by tests.
:white_check_mark: Project coverage is 92.72%. Comparing base (bbcef1b) to head (dc24b83).
Additional details and impacted files
@@ Coverage Diff @@
## develop #5163 +/- ##
========================================
Coverage 92.72% 92.72%
========================================
Files 180 180
Lines 22472 22474 +2
Branches 3188 3189 +1
========================================
+ Hits 20837 20839 +2
Misses 1177 1177
Partials 458 458
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and please tell me what to write in CHANGELOG, cause I'm confused about the format.... :-)
Please look at the instructions in the changelog (https://github.com/MDAnalysis/mdanalysis/blob/bbcef1bcfaf81f754fa84f9c49a7c16f98d67617/package/CHANGELOG#L6-L13), and try to add something. If something about the changelog is unclear, then ask us specifically about (edit: what is unclear).
If something about the changelog is unclear, then ask us specifically about the.
ok
@IAlibay hi! Please check it, and do I need to update any other things related to docs?
Hi @marinegor @IAlibay if you are not busy, can you tell me any updates on this?
@spyke7 - I appreciate the ping. I won't get to this until the weekend at the very least. As per all core developers, we tend to not have time during the week days due to life priorities.
@spyke7 - I appreciate the ping. I won't get to this until the weekend at the very least. As per all core developers, we tend to not have time during the week days due to life priorities.
Sure. No problem with that.
@IAlibay I tentatively assigned you here, given that you've been reviewing already. If you don't have the bandwidth please unassign yourself.
Hi @IAlibay Any other changes or updates required?!