Coverage report: 95%

Files Functions Classes

coverage.py v7.5.1, created at 2024-05-09 16:14 +0000

File function statements missing excluded coverage
cvpack/__init__.py (no function) 26 0 0 100%
cvpack/angle.py Angle.__init__ 5 0 0 100%
cvpack/angle.py (no function) 7 0 0 100%
cvpack/atomic_function.py AtomicFunction.__init__ 11 1 0 91%
cvpack/atomic_function.py AtomicFunction._fromCustomForce 31 5 0 84%
cvpack/atomic_function.py AtomicFunction._fromHarmonicBondForce 8 0 0 100%
cvpack/atomic_function.py AtomicFunction._fromHarmonicAngleForce 8 0 0 100%
cvpack/atomic_function.py AtomicFunction._fromPeriodicTorsionForce 9 0 0 100%
cvpack/atomic_function.py AtomicFunction.fromOpenMMForce 9 1 0 89%
cvpack/atomic_function.py (no function) 21 0 0 100%
cvpack/attraction_strength.py AttractionStrength.__init__ 37 1 0 97%
cvpack/attraction_strength.py (no function) 11 0 0 100%
cvpack/base_custom_function.py BaseCustomFunction._extractParameters 8 0 0 100%
cvpack/base_custom_function.py BaseCustomFunction._addParameters 9 0 0 100%
cvpack/base_custom_function.py (no function) 7 0 0 100%
cvpack/base_path_cv.py BasePathCV.__init__ 17 0 0 100%
cvpack/base_path_cv.py BasePathCV._generateName 5 1 0 80%
cvpack/base_path_cv.py (no function) 8 0 0 100%
cvpack/base_radius_of_gyration.py BaseRadiusOfGyration.__init__ 7 0 0 100%
cvpack/base_radius_of_gyration.py (no function) 5 0 0 100%
cvpack/base_rmsd.py BaseRMSD._getDefinedCoords 4 0 0 100%
cvpack/base_rmsd.py BaseRMSD._getAllCoords 4 0 0 100%
cvpack/base_rmsd.py (no function) 7 0 0 100%
cvpack/base_rmsd_content.py BaseRMSDContent.__init__ 16 4 0 75%
cvpack/base_rmsd_content.py BaseRMSDContent.__init__.get_expression 9 0 0 100%
cvpack/base_rmsd_content.py BaseRMSDContent._loadPositions 2 0 0 100%
cvpack/base_rmsd_content.py BaseRMSDContent._getAtomList 10 0 0 100%
cvpack/base_rmsd_content.py BaseRMSDContent.getNumResidueBlocks 1 0 0 100%
cvpack/base_rmsd_content.py (no function) 15 0 0 100%
cvpack/centroid_function.py CentroidFunction.__init__ 17 3 0 82%
cvpack/centroid_function.py (no function) 10 0 0 100%
cvpack/collective_variable.py CollectiveVariable.__getstate__ 1 0 0 100%
cvpack/collective_variable.py CollectiveVariable.__setstate__ 1 0 0 100%
cvpack/collective_variable.py CollectiveVariable.__copy__ 1 0 0 100%
cvpack/collective_variable.py CollectiveVariable.__deepcopy__ 1 0 0 100%
cvpack/collective_variable.py CollectiveVariable._registerCV 5 0 0 100%
cvpack/collective_variable.py CollectiveVariable._registerPeriodicBounds 5 0 0 100%
cvpack/collective_variable.py CollectiveVariable._setUnusedForceGroup 5 1 0 80%
cvpack/collective_variable.py CollectiveVariable.getName 1 0 0 100%
cvpack/collective_variable.py CollectiveVariable.getUnit 1 0 0 100%
cvpack/collective_variable.py CollectiveVariable.getMassUnit 1 0 0 100%
cvpack/collective_variable.py CollectiveVariable.getPeriodicBounds 1 0 0 100%
cvpack/collective_variable.py CollectiveVariable.addToSystem 3 0 0 100%
cvpack/collective_variable.py CollectiveVariable.getValue 3 0 0 100%
cvpack/collective_variable.py CollectiveVariable.getEffectiveMass 1 0 0 100%
cvpack/collective_variable.py (no function) 28 0 0 100%
cvpack/composite_rmsd.py _Stub.__init__ 1 1 0 0%
cvpack/composite_rmsd.py CompositeRMSD.__init__ 8 0 0 100%
cvpack/composite_rmsd.py (no function) 13 2 0 85%
cvpack/distance.py Distance.__init__ 4 0 0 100%
cvpack/distance.py (no function) 6 0 0 100%
cvpack/helix_angle_content.py HelixAngleContent.__init__ 13 0 0 100%
cvpack/helix_angle_content.py HelixAngleContent.__init__.find_alpha_carbon 4 0 0 100%
cvpack/helix_angle_content.py (no function) 9 0 0 100%
cvpack/helix_hbond_content.py HelixHBondContent.__init__ 12 0 0 100%
cvpack/helix_hbond_content.py HelixHBondContent.__init__.find_atom 4 0 0 100%
cvpack/helix_hbond_content.py (no function) 10 0 0 100%
cvpack/helix_rmsd_content.py HelixRMSDContent.__init__ 3 0 0 100%
cvpack/helix_rmsd_content.py (no function) 9 0 0 100%
cvpack/helix_torsion_content.py HelixTorsionContent.__init__ 12 0 0 100%
cvpack/helix_torsion_content.py HelixTorsionContent.__init__.find_atom 4 0 0 100%
cvpack/helix_torsion_content.py (no function) 9 0 0 100%
cvpack/meta_collective_variable.py MetaCollectiveVariable.__init__ 11 1 0 91%
cvpack/meta_collective_variable.py MetaCollectiveVariable.getInnerVariables 1 0 0 100%
cvpack/meta_collective_variable.py MetaCollectiveVariable.getInnerValues 2 0 0 100%
cvpack/meta_collective_variable.py MetaCollectiveVariable.getInnerEffectiveMasses 3 0 0 100%
cvpack/meta_collective_variable.py MetaCollectiveVariable.getParameterDefaultValues 1 0 0 100%
cvpack/meta_collective_variable.py MetaCollectiveVariable.getParameterValues 1 0 0 100%
cvpack/meta_collective_variable.py MetaCollectiveVariable.getParameterDerivatives 3 0 0 100%
cvpack/meta_collective_variable.py (no function) 17 0 0 100%
cvpack/number_of_contacts.py NumberOfContacts.__init__ 25 0 0 100%
cvpack/number_of_contacts.py (no function) 10 0 0 100%
cvpack/openmm_force_wrapper.py OpenMMForceWrapper.__init__ 8 0 0 100%
cvpack/openmm_force_wrapper.py OpenMMForceWrapper.__getattr__ 5 5 0 0%
cvpack/openmm_force_wrapper.py OpenMMForceWrapper.__getattr__._wrapped_method 1 1 0 0%
cvpack/openmm_force_wrapper.py (no function) 9 0 0 100%
cvpack/path/__init__.py (no function) 1 0 0 100%
cvpack/path/path.py Metric.__init__ 1 0 0 100%
cvpack/path/path.py Metric.__repr__ 1 1 0 0%
cvpack/path/path.py Metric.__eq__ 1 0 0 100%
cvpack/path/path.py Metric.__getstate__ 1 0 0 100%
cvpack/path/path.py Metric.__setstate__ 1 0 0 100%
cvpack/path/path.py (no function) 11 0 0 100%
cvpack/path_in_cv_space.py PathInCVSpace.__init__ 22 2 0 91%
cvpack/path_in_cv_space.py (no function) 11 0 0 100%
cvpack/path_in_rmsd_space.py PathInRMSDSpace.__init__ 10 1 0 90%
cvpack/path_in_rmsd_space.py (no function) 9 0 0 100%
cvpack/radius_of_gyration.py RadiusOfGyration.__init__ 7 0 0 100%
cvpack/radius_of_gyration.py (no function) 6 0 0 100%
cvpack/radius_of_gyration_sq.py RadiusOfGyrationSq.__init__ 6 0 0 100%
cvpack/radius_of_gyration_sq.py (no function) 6 0 0 100%
cvpack/reporting/__init__.py (no function) 3 0 0 100%
cvpack/reporting/custom_writer.py CustomWriter.initialize 0 0 0 100%
cvpack/reporting/custom_writer.py CustomWriter.getHeaders 1 1 0 0%
cvpack/reporting/custom_writer.py CustomWriter.getValues 1 1 0 0%
cvpack/reporting/custom_writer.py (no function) 7 0 0 100%
cvpack/reporting/cv_writer.py CVWriter.__init__ 7 2 0 71%
cvpack/reporting/cv_writer.py CVWriter.getHeaders 6 0 0 100%
cvpack/reporting/cv_writer.py CVWriter.getValues 7 0 0 100%
cvpack/reporting/cv_writer.py (no function) 8 0 0 100%
cvpack/reporting/meta_cv_writer.py MetaCVWriter.__init__ 7 0 0 100%
cvpack/reporting/meta_cv_writer.py MetaCVWriter.getHeaders 11 0 0 100%
cvpack/reporting/meta_cv_writer.py MetaCVWriter.getHeaders.add_header 1 0 0 100%
cvpack/reporting/meta_cv_writer.py MetaCVWriter.getValues 19 0 0 100%
cvpack/reporting/meta_cv_writer.py (no function) 9 0 0 100%
cvpack/reporting/state_data_reporter.py StateDataReporter.__init__ 5 1 0 80%
cvpack/reporting/state_data_reporter.py StateDataReporter._expand 2 0 0 100%
cvpack/reporting/state_data_reporter.py StateDataReporter._initializeConstants 4 0 0 100%
cvpack/reporting/state_data_reporter.py StateDataReporter._constructHeaders 1 0 0 100%
cvpack/reporting/state_data_reporter.py StateDataReporter._constructReportValues 1 0 0 100%
cvpack/reporting/state_data_reporter.py (no function) 11 0 0 100%
cvpack/residue_coordination.py ResidueCoordination.__init__ 18 0 0 100%
cvpack/residue_coordination.py ResidueCoordination.getReferenceValue 1 1 0 0%
cvpack/residue_coordination.py ResidueCoordination.setReferenceValue 4 0 0 100%
cvpack/residue_coordination.py (no function) 12 0 0 100%
cvpack/rmsd.py RMSD.__init__ 6 0 0 100%
cvpack/rmsd.py RMSD.getNullBondForce 5 0 0 100%
cvpack/rmsd.py (no function) 9 0 0 100%
cvpack/serialization/__init__.py (no function) 1 0 0 100%
cvpack/serialization/serialization.py Serializable.registerTag 3 0 0 100%
cvpack/serialization/serialization.py SerializableAtom.__init__ 8 2 0 75%
cvpack/serialization/serialization.py SerializableAtom.__getstate__ 1 0 0 100%
cvpack/serialization/serialization.py SerializableAtom.__setstate__ 1 0 0 100%
cvpack/serialization/serialization.py SerializableAtom.element 1 0 0 100%
cvpack/serialization/serialization.py SerializableResidue.__init__ 7 1 0 86%
cvpack/serialization/serialization.py SerializableResidue.__getstate__ 1 0 0 100%
cvpack/serialization/serialization.py SerializableResidue.__setstate__ 1 0 0 100%
cvpack/serialization/serialization.py SerializableResidue.__len__ 1 1 0 0%
cvpack/serialization/serialization.py SerializableResidue.atoms 1 0 0 100%
cvpack/serialization/serialization.py SerializableForce.__init__ 2 0 0 100%
cvpack/serialization/serialization.py SerializableForce.__getattr__ 1 0 0 100%
cvpack/serialization/serialization.py SerializableForce.__getstate__ 1 0 0 100%
cvpack/serialization/serialization.py SerializableForce.__setstate__ 1 0 0 100%
cvpack/serialization/serialization.py serialize 1 0 0 100%
cvpack/serialization/serialization.py deserialize 1 0 0 100%
cvpack/serialization/serialization.py (no function) 29 0 0 100%
cvpack/sheet_rmsd_content.py SheetRMSDContent.__init__ 9 1 0 89%
cvpack/sheet_rmsd_content.py (no function) 11 0 0 100%
cvpack/shortest_distance.py ShortestDistance.__init__ 16 0 0 100%
cvpack/shortest_distance.py (no function) 9 0 0 100%
cvpack/torsion.py Torsion.__init__ 5 0 0 100%
cvpack/torsion.py (no function) 7 0 0 100%
cvpack/torsion_similarity.py TorsionSimilarity.__init__ 9 0 0 100%
cvpack/torsion_similarity.py (no function) 8 0 0 100%
cvpack/units/__init__.py (no function) 1 0 0 100%
cvpack/units/units.py Unit.__init__ 7 0 0 100%
cvpack/units/units.py Unit.__repr__ 1 1 0 0%
cvpack/units/units.py Unit.__getstate__ 1 0 0 100%
cvpack/units/units.py Unit.__setstate__ 1 0 0 100%
cvpack/units/units.py Unit.visit_Name 1 0 0 100%
cvpack/units/units.py Quantity.__init__ 3 0 0 100%
cvpack/units/units.py Quantity.__repr__ 1 0 0 100%
cvpack/units/units.py Quantity.__getstate__ 1 0 0 100%
cvpack/units/units.py Quantity.__setstate__ 1 0 0 100%
cvpack/units/units.py Quantity.value 1 0 0 100%
cvpack/units/units.py Quantity.in_md_units 1 1 0 0%
cvpack/units/units.py in_md_units 6 1 0 83%
cvpack/units/units.py value_in_md_units 3 0 0 100%
cvpack/units/units.py (no function) 28 0 0 100%
cvpack/utils.py evaluate_in_context 19 0 0 100%
cvpack/utils.py convert_to_matrix 5 1 0 80%
cvpack/utils.py get_single_force_state 15 8 0 47%
cvpack/utils.py compute_effective_mass 9 0 0 100%
cvpack/utils.py preprocess_args 5 0 0 100%
cvpack/utils.py preprocess_args.convert 19 1 0 95%
cvpack/utils.py preprocess_args.wrapper 4 0 0 100%
cvpack/utils.py (no function) 16 0 0 100%
Total   1165 55 0 95%

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