Coverage for biobb_pytorch / test / unitests / test_mdae / test_feat2traj.py: 90%

1# type: ignore 

2from biobb_common.tools import test_fixtures as fx 

3from biobb_pytorch.mdae.feat2traj import feat2traj 

4import os 

5 

6 

7class TestFeat2Traj: 

8 def setup_class(self): 

9 fx.test_setup(self, 'feat2traj') 

10 

11 def teardown_class(self): 

12 fx.test_teardown(self) 

13 

14 def test_feat2traj(self): 

15 feat2traj(properties=self.properties, **self.paths) 

16 assert fx.not_empty(self.paths['output_traj_path']) 

17 

18 # Verify trajectory file exists and has reasonable size 

19 assert os.path.exists(self.paths['output_traj_path']), "Trajectory file should exist" 

20 file_size = os.path.getsize(self.paths['output_traj_path']) 

21 assert file_size > 0, "Trajectory file should not be empty" 

22 

23 if 'output_top_path' in self.paths and self.paths['output_top_path']: 

24 assert fx.not_empty(self.paths['output_top_path']) 

25 assert os.path.exists(self.paths['output_top_path']), "Topology file should exist" 

26 

27 if 'ref_output_traj_path' in self.paths: 

28 ref_size = os.path.getsize(self.paths['ref_output_traj_path']) 

29 # Compare file sizes (should be similar for same input) 

30 assert abs(file_size - ref_size) / max(file_size, ref_size) < 0.1, "Trajectory sizes should be similar"