Commit b7ecdc03 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Fixed issue in trying to form path to nonexisting cubefile.

parent a26e1820
...@@ -566,9 +566,11 @@ class CP2KCommonParser(CommonParser): ...@@ -566,9 +566,11 @@ class CP2KCommonParser(CommonParser):
# Cell dependent basis mapping # Cell dependent basis mapping
self.cache_service.addValue("mapping_section_basis_set_cell_dependent") self.cache_service.addValue("mapping_section_basis_set_cell_dependent")
# If a cube file was found, open it and store values. # If a cube file was found, get the filepath. Currently no information
# is read from this file because there is no suitable metainfo for it.
filename = self.cache_service["electron_density_filename"] filename = self.cache_service["electron_density_filename"]
absolute_filepath = self.parser_context.file_service.get_absolute_path_to_file(filename) if filename is not None:
self.parser_context.file_service.get_absolute_path_to_file(filename)
backend.closeSection("section_basis_set", scc_basis_id) backend.closeSection("section_basis_set", scc_basis_id)
......
...@@ -1330,14 +1330,7 @@ class TestCubeFiles(unittest.TestCase): ...@@ -1330,14 +1330,7 @@ class TestCubeFiles(unittest.TestCase):
"""Tests that different methods are recognized correctly. """Tests that different methods are recognized correctly.
""" """
def test_electron_density(self): def test_electron_density(self):
results = get_result("cube/single_point_default_name") get_result("cube/single_point_default_name")
class TestMD(unittest.TestCase):
"""Tests that different methods are recognized correctly.
"""
def test_md(self):
results = get_result("../../test/examples/md")
if __name__ == '__main__': if __name__ == '__main__':
...@@ -1349,30 +1342,29 @@ if __name__ == '__main__': ...@@ -1349,30 +1342,29 @@ if __name__ == '__main__':
for VERSION in VERSIONS: for VERSION in VERSIONS:
suites = [] suites = []
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestErrors)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestErrors))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestUnknownInput)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestUnknownInput))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestXCFunctional)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestXCFunctional))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestEnergyForce)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestEnergyForce))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeometryInfo)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeometryInfo))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestStressTensorMethods)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestStressTensorMethods))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSelfInteractionCorrectionMethod)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSelfInteractionCorrectionMethod))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestConfigurationPeriodicDimensions)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestConfigurationPeriodicDimensions))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSCFConvergence)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSCFConvergence))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestForceFiles)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestForceFiles))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestPreprocessor)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestPreprocessor))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOpt)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOpt))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajFormats)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajFormats))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptOptimizers)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptOptimizers))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajectory)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajectory))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestRestart)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestRestart))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMD))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDPrintSettings))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDEnsembles))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDEnsembles))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestVDWMethod))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestElectronicStructureMethod))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestCubeFiles))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMD)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMD))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDPrintSettings))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDEnsembles))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDEnsembles))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestVDWMethod))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestElectronicStructureMethod))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestCubeFiles))
alltests = unittest.TestSuite(suites) alltests = unittest.TestSuite(suites)
result = unittest.TextTestRunner(verbosity=0).run(alltests) result = unittest.TextTestRunner(verbosity=0).run(alltests)
......
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