Implementation of the Martini3 Go-model #550
71.5% of diff hit (target 90.0%)
View this Pull Request on Codecov
71.5% of diff hit (target 90.0%)
Annotations
Check warning on line 96 in vermouth/gmx/topology.py
codecov / codecov/patch
vermouth/gmx/topology.py#L95-L96
Added lines #L95 - L96 were not covered by tests
Check warning on line 137 in vermouth/gmx/topology.py
codecov / codecov/patch
vermouth/gmx/topology.py#L137
Added line #L137 was not covered by tests
Check warning on line 183 in vermouth/gmx/topology.py
codecov / codecov/patch
vermouth/gmx/topology.py#L183
Added line #L183 was not covered by tests
Check warning on line 187 in vermouth/gmx/topology.py
codecov / codecov/patch
vermouth/gmx/topology.py#L186-L187
Added lines #L186 - L187 were not covered by tests
Check warning on line 94 in vermouth/processors/water_bias.py
codecov / codecov/patch
vermouth/processors/water_bias.py#L94
Added line #L94 was not covered by tests
Check warning on line 123 in vermouth/processors/water_bias.py
codecov / codecov/patch
vermouth/processors/water_bias.py#L123
Added line #L123 was not covered by tests
Check warning on line 126 in vermouth/processors/water_bias.py
codecov / codecov/patch
vermouth/processors/water_bias.py#L126
Added line #L126 was not covered by tests
Check warning on line 129 in vermouth/processors/water_bias.py
codecov / codecov/patch
vermouth/processors/water_bias.py#L129
Added line #L129 was not covered by tests
Check warning on line 40 in vermouth/rcsu/go_pipeline.py
codecov / codecov/patch
vermouth/rcsu/go_pipeline.py#L39-L40
Added lines #L39 - L40 were not covered by tests
Check warning on line 43 in vermouth/rcsu/go_pipeline.py
codecov / codecov/patch
vermouth/rcsu/go_pipeline.py#L43
Added line #L43 was not covered by tests
Check warning on line 47 in vermouth/rcsu/go_pipeline.py
codecov / codecov/patch
vermouth/rcsu/go_pipeline.py#L46-L47
Added lines #L46 - L47 were not covered by tests
Check warning on line 49 in vermouth/rcsu/go_pipeline.py
codecov / codecov/patch
vermouth/rcsu/go_pipeline.py#L49
Added line #L49 was not covered by tests
Check warning on line 52 in vermouth/rcsu/go_pipeline.py
codecov / codecov/patch
vermouth/rcsu/go_pipeline.py#L51-L52
Added lines #L51 - L52 were not covered by tests
Check warning on line 92 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L87-L92
Added lines #L87 - L92 were not covered by tests
Check warning on line 97 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L94-L97
Added lines #L94 - L97 were not covered by tests
Check warning on line 119 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L119
Added line #L119 was not covered by tests
Check warning on line 125 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L125
Added line #L125 was not covered by tests
Check warning on line 132 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L130-L132
Added lines #L130 - L132 were not covered by tests
Check warning on line 152 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L152
Added line #L152 was not covered by tests
Check warning on line 155 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L155
Added line #L155 was not covered by tests
Check warning on line 158 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L158
Added line #L158 was not covered by tests
Check warning on line 162 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L161-L162
Added lines #L161 - L162 were not covered by tests
Check warning on line 169 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L168-L169
Added lines #L168 - L169 were not covered by tests
Check warning on line 171 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L171
Added line #L171 was not covered by tests
Check warning on line 178 in vermouth/rcsu/go_structure_bias.py
codecov / codecov/patch
vermouth/rcsu/go_structure_bias.py#L178
Added line #L178 was not covered by tests