biobb_mem/test/unitests/test_ambertools/test_cpptraj_density_container.py source
1 from biobb_common.tools import test_fixtures as fx
2 from biobb_mem.ambertools.cpptraj_density import cpptraj_density
3 import pytest
4 import sys
5
6
7 class TestCpptrajDensityDefaultDocker():
8 def setup_class(self):
9 fx.test_setup(self, 'cpptraj_density_docker')
10
11 def teardown_class(self):
12 fx.test_teardown(self)
13 pass
14
15 def test_cpptraj_density_docker(self):
16 returncode = cpptraj_density(properties=self.properties, **self.paths)
17 assert fx.not_empty(self.paths['output_cpptraj_path'])
18 assert fx.equal(self.paths['output_cpptraj_path'], self.paths['ref_output_cpptraj_path'])
19 assert fx.exe_success(returncode)
20
21
22 class TestCpptrajDensityMaskDocker():
23 def setup_class(self):
24 fx.test_setup(self, 'cpptraj_density_mask_docker')
25
26 def teardown_class(self):
27 fx.test_teardown(self)
28 pass
29
30 def test_cpptraj_density_mask_docker(self):
31 returncode = cpptraj_density(properties=self.properties, **self.paths)
32 assert fx.not_empty(self.paths['output_cpptraj_path'])
33 assert fx.equal(self.paths['output_cpptraj_path'], self.paths['ref_output_cpptraj_path'])
34 assert fx.exe_success(returncode)
35
36
37 class TestCpptrajDensityComplexDocker():
38 def setup_class(self):
39 fx.test_setup(self, 'cpptraj_density_complex_docker')
40
41 def teardown_class(self):
42 fx.test_teardown(self)
43 pass
44
45 def test_cpptraj_density_complex_docker(self):
46 returncode = cpptraj_density(properties=self.properties, **self.paths)
47 assert fx.not_empty(self.paths['output_cpptraj_path'])
48 assert fx.equal(self.paths['output_cpptraj_path'], self.paths['ref_output_cpptraj_path'])
49 assert fx.exe_success(returncode)
50
51
52 @pytest.mark.skipif(sys.platform == 'darwin', reason="singularity not available on macOS")
53 class TestCpptrajDensityDefaultSingularity():
54 def setup_class(self):
55 fx.test_setup(self, 'cpptraj_density_singularity')
56
57 def teardown_class(self):
58 fx.test_teardown(self)
59 pass
60
61 def test_cpptraj_density_singularity(self):
62 returncode = cpptraj_density(properties=self.properties, **self.paths)
63 assert fx.not_empty(self.paths['output_cpptraj_path'])
64 assert fx.equal(self.paths['output_cpptraj_path'], self.paths['ref_output_cpptraj_path'])
65 assert fx.exe_success(returncode)
66
67
68 @pytest.mark.skipif(sys.platform == 'darwin', reason="singularity not available on macOS")
69 class TestCpptrajDensityMaskSingularity():
70 def setup_class(self):
71 fx.test_setup(self, 'cpptraj_density_mask_singularity')
72
73 def teardown_class(self):
74 fx.test_teardown(self)
75 pass
76
77 def test_cpptraj_density_mask_singularity(self):
78 returncode = cpptraj_density(properties=self.properties, **self.paths)
79 assert fx.not_empty(self.paths['output_cpptraj_path'])
80 assert fx.equal(self.paths['output_cpptraj_path'], self.paths['ref_output_cpptraj_path'])
81 assert fx.exe_success(returncode)
82
83
84 @pytest.mark.skipif(sys.platform == 'darwin', reason="singularity not available on macOS")
85 class TestCpptrajDensityComplexSingularity():
86 def setup_class(self):
87 fx.test_setup(self, 'cpptraj_density_complex_singularity')
88
89 def teardown_class(self):
90 fx.test_teardown(self)
91 pass
92
93 def test_cpptraj_density_complex_singularity(self):
94 returncode = cpptraj_density(properties=self.properties, **self.paths)
95 assert fx.not_empty(self.paths['output_cpptraj_path'])
96 assert fx.equal(self.paths['output_cpptraj_path'], self.paths['ref_output_cpptraj_path'])
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