Example #1
0
 def test_raise_pseudos_not_exists(self):
     with self.assertRaises(FileNotFoundError):
         # create new non existant pseudo
         Hpseudo2 = os.path.expanduser("~/pseudo")
         self.launcher = Launcher(self.tempdir.name,
                                  Hpseudo2,
                                  abinit_variables=tbase1_1_vars)
Example #2
0
 def test_init_from_inplace_input(self):
     inputpath = os.path.join(here, "files", "tbase1_1.in")
     shutil.copy2(inputpath, self.tempdir.name)
     p = os.path.join(self.tempdir.name, "tbase1_1.in")
     self.launcher = Launcher.from_inplace_input(p,
                                                 self.tempdir.name,
                                                 Hpseudo,
                                                 run=True)
Example #3
0
 def test_link_raise(self):
     with self.assertRaises(FileNotFoundError):
         self.launcher = Launcher(self.tempdir.name,
                                  Hpseudo,
                                  input_name="test.in",
                                  abinit_variables=tbase1_1_vars,
                                  to_link=os.path.join(
                                      self.tempdir.name, "odat_WFK"))
Example #4
0
 def test_raise_multiple_pseudo_dir(self):
     # temporary copy pseudo in another place
     tempdir2 = tempfile.TemporaryDirectory()
     shutil.copy(Hpseudo, tempdir2.name)
     Hpseudo2 = os.path.join(tempdir2.name, os.path.basename(Hpseudo))
     with self.assertRaises(ValueError):
         self.launcher = Launcher(self.tempdir.name, [Hpseudo, Hpseudo2],
                                  abinit_variables=tbase1_1_vars)
     tempdir2.cleanup()
     del tempdir2
Example #5
0
 def test_launcher_from_file(self):
     inputpath = os.path.join(here, "files", "tbase1_1.in")
     self.launcher = Launcher.from_files(inputpath,
                                         self.tempdir.name,
                                         Hpseudo,
                                         run=True)
     # check that input file is created in good dir
     inputfile = os.path.join(self.tempdir.name, "tbase1_1.in")
     outputfile = os.path.join(self.tempdir.name, "tbase1_1.out")
     self.assertTrue(os.path.exists(inputfile))
     self.assertTrue(os.path.exists(outputfile))
Example #6
0
 def test_launcher_from_args(self):
     self.launcher = Launcher(self.tempdir.name,
                              Hpseudo,
                              input_name="test_launcher.in",
                              abinit_variables=tbase1_1_vars,
                              run=True)
     # check that input file is created in good dir
     inputfile = os.path.join(self.tempdir.name, "test_launcher.in")
     outputfile = os.path.join(self.tempdir.name, "test_launcher.out")
     self.assertTrue(os.path.exists(inputfile))
     self.assertTrue(os.path.exists(outputfile))
Example #7
0
 def test_linking(self):
     # create file to link
     tempdir2 = tempfile.TemporaryDirectory()
     path = os.path.join(tempdir2.name, "odat_WFK")
     with open(path, "a") as f:
         f.write("test")
     self.launcher = Launcher(self.tempdir.name,
                              Hpseudo,
                              input_name="test.in",
                              abinit_variables=tbase1_1_vars,
                              to_link=path)
     link = os.path.join(self.tempdir.name, "input_data", "idat_test_WFK")
     self.assertTrue(os.path.islink(link))
     tempdir2.cleanup()
     del tempdir2
Example #8
0
 def test_raise_when_no_variables(self):
     with self.assertRaises(ValueError):
         self.launcher = Launcher(self.tempdir.name, Hpseudo, run=True)