⬅ biobb_flexdyn/test/unitests/test_flexdyn/test_concoord_disco_container.py source

1 # type: ignore
2 from biobb_common.tools import test_fixtures as fx
3 from biobb_flexdyn.flexdyn.concoord_disco import concoord_disco
4 import pytest
5 import sys
6  
7  
8 class TestConcoordDiscoDocker():
9 def setup_class(self):
10 fx.test_setup(self, 'concoord_disco_docker')
11  
12 def teardown_class(self):
13 fx.test_teardown(self)
14 # pass
15  
16 def test_concoord_disco_docker(self):
17 concoord_disco(properties=self.properties, **self.paths)
18 assert fx.not_empty(self.paths['output_traj_path'])
19 assert fx.not_empty(self.paths['output_rmsd_path'])
20 assert fx.not_empty(self.paths['output_bfactor_path'])
21 # assert fx.equal(self.paths['output_traj_path'], self.paths['ref_output_traj_path'])
22 # assert fx.equal(self.paths['output_rmsd_path'], self.paths['ref_output_rmsd_path']) # Frames swap??
23 # assert fx.equal(self.paths['output_bfactor_path'], self.paths['ref_output_bfactor_path'])
24  
25  
26 @pytest.mark.skipif(sys.platform == 'darwin', reason="singularity not available on macOS")
27 class TestConcoordDiscoSingularity():
28 def setup_class(self):
29 fx.test_setup(self, 'concoord_disco_singularity')
30  
31 def teardown_class(self):
32 fx.test_teardown(self)
33 # pass
34  
35 def test_concoord_disco_singularity(self):
36 concoord_disco(properties=self.properties, **self.paths)
37 assert fx.not_empty(self.paths['output_traj_path'])
38 assert fx.not_empty(self.paths['output_rmsd_path'])
39 assert fx.not_empty(self.paths['output_bfactor_path'])
40 # assert fx.equal(self.paths['output_traj_path'], self.paths['ref_output_traj_path'])
41 # assert fx.equal(self.paths['output_rmsd_path'], self.paths['ref_output_rmsd_path']) # Frames swap??
  • W292 No newline at end of file
42 # assert fx.equal(self.paths['output_bfactor_path'], self.paths['ref_output_bfactor_path'])