remove functional tests

bug fix with rbt analysis

Tests/FunctionalTests/Jobs/Test_rmt.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestRMT(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['axis'] = 'c'
-        parameters['frames'] = (0, 10, 1)
-        parameters['lower_leaflet'] = 'DMPC'
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/dmpc_in_periodic_universe.nc'
-        parameters['upper_leaflet'] = 'DMPC'
-        job = REGISTRY['job']['rmt']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestRMT))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_rog.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestROG(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['atom_selection'] = 'all'
-        parameters['frames'] = (0, 10, 1)
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['running_mode'] = ('monoprocessor', 1)
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
-        parameters['weights'] = 'equal'
-        job = REGISTRY['job']['rog']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestROG))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_sas.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestSAS(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['atom_selection'] = 'all'
-        parameters['frames'] = (0, 2, 1)
-        parameters['n_sphere_points'] = 1000
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['probe_radius'] = 0.14
-        parameters['running_mode'] = ('monoprocessor', 1)
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
-        job = REGISTRY['job']['sas']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestSAS))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_sd.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestSD(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['frames'] = (0, 10, 1)
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['reference_basis'] = ('C284H438N84O79S7', ('O', 'C_beta', 'C_delta'))
-        parameters['running_mode'] = ('monoprocessor', 1)
-        parameters['spatial_resolution'] = 0.1
-        parameters['target_molecule'] = 'atom_index 151'
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/protein_in_periodic_universe.nc'
-        job = REGISTRY['job']['sd']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestSD))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_sffsf.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestSFFSF(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['instrument_resolution'] = ('gaussian', {'mu': 0.0, 'sigma': 10.0})
-        parameters['netcdf_input_file'] = '../../../Data/NetCDF/disf_prot.nc'
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        job = REGISTRY['job']['sffsf']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestSFFSF))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_ssf.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestSSF(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['atom_selection'] = 'all'
-        parameters['atom_transmutation'] = None
-        parameters['frames'] = (0, 10, 1)
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['q_values'] = (0, 10, 1)
-        parameters['r_values'] = (0, 10, 1)
-        parameters['running_mode'] = ('monoprocessor', 1)
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
-        parameters['weights'] = 'b_coherent'
-        job = REGISTRY['job']['ssf']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestSSF))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_temp.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestTEMP(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['frames'] = (0, 10, 1)
-        parameters['interpolation_order'] = 'no interpolation'
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
-        job = REGISTRY['job']['temp']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestTEMP))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_ut.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestUT(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['atom_selection'] = 'all'
-        parameters['frames'] = (0, 10, 1)
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
-        job = REGISTRY['job']['ut']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestUT))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_vacf.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestVACF(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['atom_selection'] = 'all'
-        parameters['atom_transmutation'] = None
-        parameters['frames'] = (0, 10, 1)
-        parameters['grouping_level'] = 'atom'
-        parameters['interpolation_order'] = 'no interpolation'
-        parameters['normalize'] = False
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['projection'] = None
-        parameters['running_mode'] = ('monoprocessor', 1)
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
-        parameters['weights'] = 'equal'
-        job = REGISTRY['job']['vacf']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestVACF))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_vasp.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestVASP(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['output_file'] = ('/tmp/output', ['netcdf'])
-        parameters['time_step'] = 1.0
-        parameters['xdatcar_file'] = '../../../Data/Trajectories/VASP/XDATCAR_version5'
-        job = REGISTRY['job']['vasp']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestVASP))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_vo.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestVO(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['frames'] = (0, 5, 1)
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['pbc'] = True
-        parameters['pbc_border_size'] = 0.0
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
-        job = REGISTRY['job']['vo']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestVO))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_xplor.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestXPLOR(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['dcd_file'] = '../../../Data/Trajectories/CHARMM/2vb1.dcd'
-        parameters['fold'] = False
-        parameters['output_file'] = ('/tmp/output', ['netcdf'])
-        parameters['pdb_file'] = '../../../Data/Trajectories/CHARMM/2vb1.pdb'
-        job = REGISTRY['job']['xplor']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestXPLOR))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)

Tests/FunctionalTests/Jobs/Test_xssf.py

-#!/usr/bin/python
-
-import unittest
-from Tests.UnitTests.UnitTest import UnitTest
-from MDANSE import REGISTRY
-
-class TestXSSF(UnitTest):
-
-    def test(self):
-        parameters = {}
-        parameters['atom_selection'] = 'all'
-        parameters['atom_transmutation'] = None
-        parameters['frames'] = (0, 10, 1)
-        parameters['output_files'] = ('/tmp/output', ['netcdf'])
-        parameters['q_values'] = (0, 10, 1)
-        parameters['r_values'] = (0, 10, 1)
-        parameters['running_mode'] = ('monoprocessor', 1)
-        parameters['trajectory'] = '../../../Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
-        job = REGISTRY['job']['xssf']()
-        self.assertNotRaises(job.run, parameters, status=False)
-
-def suite():
-    loader = unittest.TestLoader()
-    s = unittest.TestSuite()
-    s.addTest(loader.loadTestsFromTestCase(TestXSSF))
-    return s
-
-if __name__ == '__main__':
-    unittest.main(verbosity=2)