Coverage for biobb_amber/test/unitests/test_sander/test_sander_mdrun.py: 100%

1# type: ignore 

2from biobb_common.tools import test_fixtures as fx 

3from biobb_amber.sander.sander_mdrun import sander_mdrun 

4 

5 

6class TestSanderMDRun(): 

7 def setup_class(self): 

8 fx.test_setup(self, 'sander_mdrun') 

9 

10 def teardown_class(self): 

11 fx.test_teardown(self) 

12 # pass 

13 

14 def test_sander_mdrun(self): 

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

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

17 assert fx.not_empty(self.paths['output_rst_path']) 

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

19 # assert fx.equal(self.paths['output_traj_path'], self.paths['ref_output_traj_path']) 

20 # assert fx.equal(self.paths['output_rst_path'], self.paths['ref_output_rst_path']) 

21 

22 

23class TestSanderMDRunDirectMDin(): 

24 def setup_class(self): 

25 fx.test_setup(self, 'sander_mdrun_direct_mdin') 

26 

27 def teardown_class(self): 

28 fx.test_teardown(self) 

29 # pass 

30 

31 def test_sander_mdrun(self): 

32 sander_mdrun(properties=self.properties, **self.paths) 

33 assert fx.not_empty(self.paths['output_log_path']) 

34 assert fx.not_empty(self.paths['output_rst_path']) 

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

36 # assert fx.equal(self.paths['output_traj_path'], self.paths['ref_output_traj_path']) 

37 # assert fx.equal(self.paths['output_rst_path'], self.paths['ref_output_rst_path'])