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Adjust plain MD simulation PDB writing & production step counter #1302

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Adjust plain MD simulation PDB writing & production step counter #1302

Merge branch 'main' into finalframe_xtc
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Codecov / codecov/patch failed May 29, 2025 in 0s

76.47% of diff hit (target 92.63%)

View this Pull Request on Codecov

76.47% of diff hit (target 92.63%)

Annotations

Check warning on line 99 in openfe/tests/protocols/openmm_md/test_plain_md_slow.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

openfe/tests/protocols/openmm_md/test_plain_md_slow.py#L99 

Added line #L99 was not covered by tests

Check warning on line 149 in openfe/tests/protocols/openmm_md/test_plain_md_slow.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

openfe/tests/protocols/openmm_md/test_plain_md_slow.py#L149 

Added line #L149 was not covered by tests

Check warning on line 154 in openfe/tests/protocols/openmm_md/test_plain_md_slow.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

openfe/tests/protocols/openmm_md/test_plain_md_slow.py#L152-L154 

Added lines #L152 - L154 were not covered by tests

Check warning on line 157 in openfe/tests/protocols/openmm_md/test_plain_md_slow.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

openfe/tests/protocols/openmm_md/test_plain_md_slow.py#L157 

Added line #L157 was not covered by tests

Check warning on line 161 in openfe/tests/protocols/openmm_md/test_plain_md_slow.py

See this annotation in the file changed.

@codecov codecov / codecov/patch

openfe/tests/protocols/openmm_md/test_plain_md_slow.py#L160-L161 

Added lines #L160 - L161 were not covered by tests
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