a-r-j / graphein

Protein Graph Library
https://graphein.ai/
MIT License
998 stars 125 forks source link

Accounts for selenocysteine in sidechain torsion angle computation #316

Closed a-r-j closed 1 year ago

a-r-j commented 1 year ago

Reference Issues/PRs

What does this implement/fix? Explain your changes

What testing did you do to verify the changes in this PR?

Pull Request Checklist

sonarcloud[bot] commented 1 year ago

Kudos, SonarCloud Quality Gate passed!    Quality Gate passed

Bug A 0 Bugs
Vulnerability A 0 Vulnerabilities
Security Hotspot A 0 Security Hotspots
Code Smell A 0 Code Smells

No Coverage information No Coverage information
0.0% 0.0% Duplication

codecov-commenter commented 1 year ago

Codecov Report

Patch coverage: 39.95% and project coverage change: +3.61 :tada:

Comparison is base (8123f42) 40.27% compared to head (bf9f4e9) 43.88%.

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Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #316 +/- ## ========================================== + Coverage 40.27% 43.88% +3.61% ========================================== Files 48 113 +65 Lines 2811 7796 +4985 ========================================== + Hits 1132 3421 +2289 - Misses 1679 4375 +2696 ``` | [Impacted Files](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb) | Coverage Δ | | |---|---|---| | [graphein/ml/datasets/foldcomp\_dataset.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vbWwvZGF0YXNldHMvZm9sZGNvbXBfZGF0YXNldC5weQ==) | `0.00% <0.00%> (ø)` | | | [graphein/ml/diffusion.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vbWwvZGlmZnVzaW9uLnB5) | `0.00% <0.00%> (ø)` | | | [graphein/ml/metrics/\_\_init\_\_.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vbWwvbWV0cmljcy9fX2luaXRfXy5weQ==) | `0.00% <0.00%> (ø)` | | | [graphein/ml/metrics/gdt.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vbWwvbWV0cmljcy9nZHQucHk=) | `0.00% <0.00%> (ø)` | | | [graphein/ml/metrics/tm\_score.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vbWwvbWV0cmljcy90bV9zY29yZS5weQ==) | `0.00% <0.00%> (ø)` | | | [graphein/ppi/graph\_metadata.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vcHBpL2dyYXBoX21ldGFkYXRhLnB5) | `0.00% <0.00%> (ø)` | | | [graphein/ppi/visualisation.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vcHBpL3Zpc3VhbGlzYXRpb24ucHk=) | `0.00% <0.00%> (ø)` | | | [graphein/protein/analysis.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vcHJvdGVpbi9hbmFseXNpcy5weQ==) | `0.00% <0.00%> (ø)` | | | [graphein/protein/features/utils.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vcHJvdGVpbi9mZWF0dXJlcy91dGlscy5weQ==) | `27.77% <0.00%> (ø)` | | | [graphein/protein/folding\_utils.py](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb#diff-Z3JhcGhlaW4vcHJvdGVpbi9mb2xkaW5nX3V0aWxzLnB5) | `0.00% <0.00%> (ø)` | | | ... and [95 more](https://app.codecov.io/gh/a-r-j/graphein/pull/316?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Arian+Jamasb) | |

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