import unittest import os import shutil import sys from io import StringIO import test_utils from olexFunctions import OV import olx import RunPrg class RunPrgTestCase(test_utils.TestCaseBase): def setUp(self): self.cwd = os.getcwd() test_utils.TestCaseBase.setUp(self) self.stdout = StringIO() sys.stdout = self.stdout olexFunctions.HasGUI = False def tearDown(self): os.chdir(self.cwd) test_utils.TestCaseBase.tearDown(self) olexFunctions.HasGUI = True # reset print(self.stdout.getvalue()) def test_refinement_shelxl(self): OV.SetParam('snum.refinement.program','ShelXL') OV.SetParam('snum.refinement.method','Least Squares') run = RunPrg.RunRefinementPrg() def test_solution_shelxs(self): shutil.copyfile('%s/Co110_patt.ins' %self.tmp, '%s/Co110.ins' %self.tmp) OV.SetParam('snum.solution.program', 'ShelXS') OV.SetParam('snum.solution.method', 'Patterson Method') run = RunPrg.RunSolutionPrg() #def test_solution_charge_flipping(self): #OV.SetParam('snum.solution.program', 'olex2.solve') #OV.SetParam('snum.solution.method', 'Charge Flipping') #run = RunPrg.RunSolutionPrg() def TestSuite(): return unittest.TestLoader().loadTestsFromTestCase(RunPrgTestCase) if __name__ == '__main__': unittest.TextTestRunner(verbosity=2).run(TestSuite())