Finishes DiceInterface Refactoring and Continues Tests Implementation

tests/shared/config/test_dice_dto.py

@@ -8,10 +8,9 @@ class TestDiceDto(unittest.TestCase):
         dice_dto = DiceDTO(
             ljname='test',
             outname='test',
-            ncores=1,
             dens=1.0,
             nmol=[1],
-            nstep=[1],
+            nstep=[1, 1],
         )
 
         self.assertIsInstance(dice_dto, DiceDTO)
@@ -21,10 +20,9 @@ class TestDiceDto(unittest.TestCase):
             DiceDTO(
                 ljname=None,
                 outname='test',
-                ncores=1,
                 dens=1.0,
                 nmol=[1],
-                nstep=[1],
+                nstep=[1, 1],
             )
             self.assertEqual(ex.exception, "Error: 'ljname' keyword not specified in config file")
 
@@ -33,10 +31,9 @@ class TestDiceDto(unittest.TestCase):
             DiceDTO(
                 ljname='test',
                 outname=None,
-                ncores=1,
                 dens=1.0,
                 nmol=[1],
-                nstep=[1],
+                nstep=[1, 1],
             )
             self.assertEqual(ex.exception, "Error: 'outname' keyword not specified in config file")
 
@@ -45,10 +42,9 @@ class TestDiceDto(unittest.TestCase):
             DiceDTO(
                 ljname='test',
                 outname='test',
-                ncores=1,
                 dens=None,
                 nmol=[1],
-                nstep=[1],
+                nstep=[1, 1],
             )
             self.assertEqual(ex.exception, "Error: 'dens' keyword not specified in config file")
 
@@ -57,10 +53,9 @@ class TestDiceDto(unittest.TestCase):
             DiceDTO(
                 ljname='test',
                 outname='test',
-                ncores=1,
                 dens=1.0,
                 nmol=0,
-                nstep=[1],
+                nstep=[1, 1],
             )
             self.assertEqual(ex.exception, "Error: 'nmol' keyword not defined appropriately in config file")
 
@@ -69,7 +64,6 @@ class TestDiceDto(unittest.TestCase):
             DiceDTO(
                 ljname='test',
                 outname='test',
-                ncores=1,
                 dens=1.0,
                 nmol=[1],
                 nstep=0,
@@ -80,10 +74,9 @@ class TestDiceDto(unittest.TestCase):
         dice_dto = DiceDTO.from_dict({
             'ljname': 'test',
             'outname': 'test',
-            'ncores': 1,
             'dens': 1.0,
             'nmol': [1],
-            'nstep': [1],
+            'nstep': [1, 1],
         })
 
         self.assertIsInstance(dice_dto, DiceDTO)

tests/shared/config/test_gaussian_dto.py

@@ -0,0 +1,45 @@
+from diceplayer.shared.config.gaussian_dto import GaussianDTO
+
+import unittest
+
+
+class TestGaussianDTO(unittest.TestCase):
+    def test_class_instantiation(self):
+        gaussian_dto = GaussianDTO(
+            level='test',
+            qmprog='g16',
+            keywords='test',
+        )
+
+        self.assertIsInstance(gaussian_dto, GaussianDTO)
+
+    def test_is_valid_qmprog(self):
+        with self.assertRaises(ValueError):
+            gaussian_dto = GaussianDTO(
+                level='test',
+                qmprog='test',
+                keywords='test',
+            )
+
+    def test_is_valid_level(self):
+        with self.assertRaises(ValueError):
+            gaussian_dto = GaussianDTO(
+                level=None,
+                qmprog='g16',
+                keywords='test',
+            )
+
+    def test_from_dict(self):
+        gaussian_dto = GaussianDTO.from_dict(
+            {
+                'level': 'test',
+                'qmprog': 'g16',
+                'keywords': 'test',
+            }
+        )
+
+        self.assertIsInstance(gaussian_dto, GaussianDTO)
+
+
+if __name__ == '__main__':
+    unittest.main()

tests/shared/config/test_player_dto.py

@@ -0,0 +1,28 @@
+from diceplayer.shared.config.player_dto import PlayerDTO
+
+import unittest
+
+
+class TestPlayerDTO(unittest.TestCase):
+    def test_class_instantiation(self):
+        player_dto = PlayerDTO(opt=True, maxcyc=100, nprocs=4)
+
+        self.assertIsInstance(player_dto, PlayerDTO)
+
+    def test_min_altsteps(self):
+        player_dto = PlayerDTO(opt=True, maxcyc=100, nprocs=4, altsteps=100)
+
+        self.assertEqual(player_dto.altsteps, 20000)
+
+    def test_from_dict(self):
+        player_dto = PlayerDTO.from_dict({
+            'opt': True,
+            'maxcyc': 100,
+            'nprocs': 4
+        })
+
+        self.assertIsInstance(player_dto, PlayerDTO)
+
+
+if __name__ == '__main__':
+    unittest.main()