Coverage for biobb_gromacs/test/unitests/test_gromacs/test_grompp_mdrun.py: 100%

1# type: ignore 

2from biobb_common.tools import test_fixtures as fx 

3from biobb_gromacs.gromacs.grompp_mdrun import grompp_mdrun 

4from biobb_gromacs.gromacs.common import gmx_rms 

5 

6 

7class TestGromppMdrun: 

8 def setup_class(self): 

9 fx.test_setup(self, 'grompp_mdrun') 

10 

11 def teardown_class(self): 

12 # pass 

13 fx.test_teardown(self) 

14 

15 def test_grompp_mdrun(self): 

16 returncode = grompp_mdrun(properties=self.properties, **self.paths) 

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

18 assert gmx_rms(self.paths['output_trr_path'], self.paths['ref_output_trr_path'], self.paths['input_gro_path'], self.properties.get('binary_path', 'gmx'), 10) 

19 assert fx.not_empty(self.paths['output_gro_path']) 

20 assert fx.not_empty(self.paths['output_edr_path']) 

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

22 assert fx.exe_success(returncode)