示例#1
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    def test_load_features_pass_trajectory_as_topology(self):
        import mdtraj
        t = mdtraj.load(pdb_file)
        features = api.featurizer(t)

        traj_files = [f for f in self.bpti_mini_files if f.endswith('.netcdf')]
        load(traj_files, features=features)
示例#2
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    def test_load_trajs(self):
        features = api.featurizer(pdb_file)
        res = load(traj_files, features)

        self.assertEqual(type(res), list)
        self.assertTrue(all(type(x) == np.ndarray for x in res))
示例#3
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    def test_load_traj(self):
        filename = traj_files[0]
        features = api.featurizer(pdb_file)
        res = load(filename, features)

        self.assertEqual(type(res), np.ndarray)
示例#4
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    def testUnicodeString(self):
        filename = text_type(traj_files[0])
        features = api.featurizer(pdb_file)

        load(filename, features)
示例#5
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    def testUnicodeString(self):
        filename = u''.join(traj_files[0])
        features = api.featurizer(pdb_file)

        load(filename, features)
示例#6
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    def test_load_trajs(self):
        features = api.featurizer(pdb_file)
        res = load(traj_files, features)

        self.assertEqual(type(res), list)
        self.assertTrue(all(type(x) == np.ndarray for x in res))
示例#7
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    def test_load_traj(self):
        filename = traj_files[0]
        features = api.featurizer(pdb_file)
        res = load(filename, features)

        self.assertEqual(type(res), np.ndarray)
示例#8
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    def testUnicodeString(self):
        filename = unicode(traj_files[0])
        features = api.featurizer(pdb_file)

        load(filename, features)