def setUp(self): module_dir = os.path.dirname(os.path.abspath(__file__)) (self.elements, self.entries) = PDEntryIO.from_csv( os.path.join(module_dir, "pdentries_test.csv")) self.pd = GrandPotentialPhaseDiagram(self.entries, {Element("O"): -5}, self.elements) self.pd6 = GrandPotentialPhaseDiagram(self.entries, {Element("O"): -6})
def setUp(self): module_dir = os.path.dirname(os.path.abspath(__file__)) (self.elements, self.entries) = PDEntryIO.from_csv( os.path.join(module_dir, "pdentries_test.csv")) self.pd = CompoundPhaseDiagram( self.entries, [Composition("Li2O"), Composition("Fe2O3")])
def test_read_csv(self): module_dir = os.path.dirname(os.path.abspath(__file__)) (elements, entries) = PDEntryIO.from_csv(os.path.join(module_dir, "pdentries_test.csv")) self.assertEqual(elements, [Element('Li'), Element('Fe'), Element('O')], "Wrong elements!") self.assertEqual(len(entries), 492, "Wrong number of entries!")
def test_read_csv(self): module_dir = os.path.dirname(os.path.abspath(__file__)) (elements, entries) = PDEntryIO.from_csv( os.path.join(module_dir, "pdentries_test.csv")) self.assertEqual( elements, [Element('Li'), Element('Fe'), Element('O')], "Wrong elements!") self.assertEqual(len(entries), 492, "Wrong number of entries!")
def setUp(self): (elements, entries) = PDEntryIO.from_csv(os.path.join(module_dir, "pdentries_test.csv")) self.pd = PhaseDiagram(entries) self.plotter = PDPlotter(self.pd, show_unstable=True) entrieslio = [e for e in entries if len(e.composition) < 3 and ("Fe" not in e.composition)] self.pd_formation = PhaseDiagram(entrieslio) self.plotter_formation = PDPlotter(self.pd_formation, show_unstable=True) entries.append(PDEntry("C", 0)) self.pd3d = PhaseDiagram(entries) self.plotter3d = PDPlotter(self.pd3d, show_unstable=True)
def setUp(self): (elements, entries) = PDEntryIO.from_csv( os.path.join(module_dir, "pdentries_test.csv")) self.pd = PhaseDiagram(entries) self.plotter = PDPlotter(self.pd, show_unstable=True) entrieslio = [ e for e in entries if len(e.composition) < 3 and ("Fe" not in e.composition) ] self.pd_formation = PhaseDiagram(entrieslio) self.plotter_formation = PDPlotter(self.pd_formation, show_unstable=True) entries.append(PDEntry("C", 0)) self.pd3d = PhaseDiagram(entries) self.plotter3d = PDPlotter(self.pd3d, show_unstable=True)
def setUp(self): module_dir = os.path.dirname(os.path.abspath(__file__)) (self.elements, self.entries) = \ PDEntryIO.from_csv(os.path.join(module_dir, "pdentries_test.csv")) self.pd = PhaseDiagram(self.entries)
def setUp(self): module_dir = os.path.dirname(os.path.abspath(__file__)) (elements, entries) = PDEntryIO.from_csv(os.path.join(module_dir, "pdentries_test.csv")) self.pd = PhaseDiagram(entries) self.analyzer = PDAnalyzer(self.pd)
def setUp(self): (elements, entries) = PDEntryIO.from_csv( os.path.join(module_dir, "pdentries_test.csv")) self.pd = PhaseDiagram(entries) self.plotter = PDPlotter(self.pd)
def setUp(self): module_dir = os.path.dirname(os.path.abspath(__file__)) (elements, entries) = PDEntryIO.from_csv( os.path.join(module_dir, "pdentries_test.csv")) self.pd = PhaseDiagram(entries) self.analyzer = PDAnalyzer(self.pd)
def setUp(self): module_dir = os.path.dirname(os.path.abspath(__file__)) (self.elements, self.entries) = PDEntryIO.from_csv( os.path.join(module_dir, "pdentries_test.csv")) self.pd = CompoundPhaseDiagram(self.entries, [Composition("Li2O"), Composition("Fe2O3")])
def setUp(self): (elements, entries) = PDEntryIO.from_csv(os.path.join(module_dir, "pdentries_test.csv")) self.pd = PhaseDiagram(entries) self.plotter = PDPlotter(self.pd)