Feature/integration tests

[github-actions[bot]]

PYLINT REPORT

Your code has been rated at 9.52/10 (previous run: 9.52/10, -0.00)

Full report

Raw metrics =========== |type |number |% |previous |difference | |----------|-------|------|---------|-----------| |code |7783 |39.87 |7787 |-4.00 | |docstring |8595 |44.03 |8595 |= | |comment |269 |1.38 |269 |= | |empty |2872 |14.71 |2869 |+3.00 | Duplication =========== | |now |previous |difference | |-------------------------|------|---------|-----------| |nb duplicated lines |0 |0 |0 | |percent duplicated lines |0.000 |0.000 |= | Messages by category ==================== |type |number |previous |difference | |-----------|-------|---------|-----------| |convention |1 |1 |1 | |refactor |51 |51 |51 | |warning |14 |13 |13 | |error |31 |31 |31 | % errors / warnings by module ============================= |module |error |warning |refactor |convention | |--------------------------------------------------------|------|--------|---------|-----------| |PQAnalysis.io.topology_file.topology_file_reader |67.74 |0.00 |0.00 |0.00 | |PQAnalysis.io.nep.nep_writer |12.90 |0.00 |15.69 |100.00 | |PQAnalysis.io.traj_file.frame_reader |6.45 |0.00 |3.92 |0.00 | |PQAnalysis |3.23 |7.14 |0.00 |0.00 | |PQAnalysis.io.input_file_reader.input_file_parser |3.23 |0.00 |1.96 |0.00 | |PQAnalysis.io.traj_file.api |3.23 |0.00 |0.00 |0.00 | |PQAnalysis.io.gen_file.gen_file_reader |3.23 |0.00 |0.00 |0.00 | |PQAnalysis.atomic_system.atomic_system |0.00 |14.29 |11.76 |0.00 | |PQAnalysis.topology.__init__ |0.00 |14.29 |0.00 |0.00 | |PQAnalysis.tools.traj_to_com_traj |0.00 |14.29 |0.00 |0.00 | |PQAnalysis.io.moldescriptor_reader |0.00 |14.29 |0.00 |0.00 | |PQAnalysis.utils.custom_logging |0.00 |7.14 |0.00 |0.00 | |PQAnalysis.io.write_api |0.00 |7.14 |0.00 |0.00 | |PQAnalysis.io.input_file_reader.pq.output_files |0.00 |7.14 |0.00 |0.00 | |PQAnalysis.core.api |0.00 |7.14 |0.00 |0.00 | |PQAnalysis.atomic_system._decorators |0.00 |7.14 |0.00 |0.00 | |PQAnalysis.io.traj_file.trajectory_reader |0.00 |0.00 |9.80 |0.00 | |PQAnalysis.tools.add_molecule |0.00 |0.00 |7.84 |0.00 | |PQAnalysis.atomic_system._properties |0.00 |0.00 |5.88 |0.00 | |PQAnalysis.analysis.rdf.rdf |0.00 |0.00 |5.88 |0.00 | |PQAnalysis.topology.topology |0.00 |0.00 |3.92 |0.00 | |PQAnalysis.topology.bonded_topology.dihedral |0.00 |0.00 |3.92 |0.00 | |PQAnalysis.core.residue |0.00 |0.00 |3.92 |0.00 | |PQAnalysis.atomic_system._standard_properties |0.00 |0.00 |3.92 |0.00 | |PQAnalysis.traj.formats |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.topology.selection |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.topology.bonded_topology.bonded_topology |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.topology.bonded_topology.bond |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.topology.bonded_topology.angle |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.io.restart_file.restart_reader |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.io.input_file_reader.pq_analysis._parse |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.io.input_file_reader.pq.pq_input_file_reader |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.io.info_file_reader |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.io.formats |0.00 |0.00 |1.96 |0.00 | |PQAnalysis.core.cell.cell |0.00 |0.00 |1.96 |0.00 | Messages ======== |message id |occurrences | |--------------------------------|------------| |possibly-used-before-assignment |30 | |too-many-arguments |18 | |too-many-instance-attributes |10 | |fixme |10 | |inconsistent-return-statements |9 | |too-many-locals |3 | |too-complex |3 | |duplicate-code |3 | |unused-import |2 | |too-many-branches |2 | |unused-argument |1 | |too-many-statements |1 | |too-many-return-statements |1 | |too-many-public-methods |1 | |too-many-lines |1 | |no-member |1 | |arguments-differ |1 |

[codecov[bot]]

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 84.85%. Comparing base (3a4d738) to head (bc9e694).

Additional details and impacted files

```diff @@ Coverage Diff @@ ## dev #91 +/- ## ========================================== + Coverage 80.67% 84.85% +4.17% ========================================== Files 123 123 Lines 4931 4931 ========================================== + Hits 3978 4184 +206 + Misses 953 747 -206 ``` | [Flag](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/91/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/91/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | `84.85% <ø> (+4.17%)` | :arrow_up: | [see 8 files with indirect coverage changes](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/91/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse)