Qvalue contact list, compute_stat summaries, and plot padding fixes#23
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Paradoxicaly wants to merge 16 commits intoaai-research-lab:mainfrom
Open
Qvalue contact list, compute_stat summaries, and plot padding fixes#23Paradoxicaly wants to merge 16 commits intoaai-research-lab:mainfrom
Paradoxicaly wants to merge 16 commits intoaai-research-lab:mainfrom
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Expanded Ramachandran plot bounds to prevent edge clipping. Ensured qvalue naming is consistent across tests and demo files. Regenerated qvalue plot behavior without forced y‑axis padding. Verified qvalue and dihedrals tests pass.
add compute_stat option to analyze/CLI/system defaults and time-series analyses write mean/std stats files and overlay mean/±1 bands on plots update docs for new flag/output files add tests and verify targeted pytest
write qvalue_contact_list.dat with residue pair indices include contact list in Q-value results update Q-value docs with new output add test to verify contact list file is saved
Expanded Ramachandran plot bounds to prevent edge clipping. Ensured qvalue naming is consistent across tests and demo files. Regenerated qvalue plot behavior without forced y‑axis padding. Verified qvalue and dihedrals tests pass.
add compute_stat option to analyze/CLI/system defaults and time-series analyses write mean/std stats files and overlay mean/±1 bands on plots update docs for new flag/output files add tests and verify targeted pytest
write qvalue_contact_list.dat with residue pair indices include contact list in Q-value results update Q-value docs with new output add test to verify contact list file is saved
Codecov Report✅ All modified and coverable lines are covered by tests. 📢 Thoughts on this report? Let us know! |
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save Q‑value qvalue_contact_list.dat with residue pairs used in native contacts
add compute_stat support for RMSD/RMSF/Rg/SASA/Qvalue with mean/±1σ overlays
update plot bounds/padding (Ramachandran + dihedral plots) to prevent clipping
rename q_value → qvalue across API/CLI/docs/tests
refresh docs and tests for new outputs