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remove Mold2 from automated tests #74

remove Mold2 from automated tests

remove Mold2 from automated tests #74

GitHub Actions / JUnit Test Report failed Jul 1, 2024 in 0s

436 tests run, 425 passed, 10 skipped, 1 failed.

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Check failure on line 1 in TestSklearnClassification

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TestSklearnClassification.testRandomForestClassifierFitWithSeed

AssertionError: Lists differ: [0.36363636363636365, 0.1088776457161647, 0.[429 chars].775] != [0.5, 0.24809590313546126, 0.666666666666666[365 chars] 0.7]

First differing element 0:
0.36363636363636365
0.5

Diff is 1099 characters long. Set self.maxDiff to None to see it.
Raw output
self = <qsprpred.models.tests.TestSklearnClassification testMethod=testRandomForestClassifierFitWithSeed>

    def testRandomForestClassifierFitWithSeed(self):
        parameters = {
            "n_jobs": self.nCPU,
        }
        # initialize dataset
        dataset = self.createLargeTestDataSet(
            target_props=[{
                "name": "CL",
                "task": TargetTasks.SINGLECLASS,
                "th": [6.5]
            }],
            preparation_settings=self.getDefaultPrep(),
        )
        # test classifier
        # initialize model for training from class
        model = self.getModel(
            name=f"RFC_{TargetTasks.SINGLECLASS}",
            alg=RandomForestClassifier,
            parameters=parameters,
        )
        self.fitTest(model, dataset)
        expected_summary = create_metrics_summary(model)
    
        # Generate summary again, check that the result is identical
        model = self.getModel(
            name=f"RFC_{TargetTasks.SINGLECLASS}",
            alg=RandomForestClassifier,
            parameters=parameters,
        )
        self.fitTest(model, dataset)
        summary = create_metrics_summary(model)
    
        self.assertListEqual(summary["Metric"], expected_summary["Metric"])
        self.assertListEqual(summary["Model"], expected_summary["Model"])
        self.assertListEqual(summary["TestSet"], expected_summary["TestSet"])
>       self.assertListEqual(summary["Value"], expected_summary["Value"])
E       AssertionError: Lists differ: [0.36363636363636365, 0.1088776457161647, 0.[429 chars].775] != [0.5, 0.24809590313546126, 0.666666666666666[365 chars] 0.7]
E       
E       First differing element 0:
E       0.36363636363636365
E       0.5
E       
E       Diff is 1099 characters long. Set self.maxDiff to None to see it.

../../qsprpred/models/tests.py:391: AssertionError