56 lines
1.4 KiB
Python
56 lines
1.4 KiB
Python
from crystalpol.shared.config import Config
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import unittest
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class TestConfig(unittest.TestCase):
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def test_class_instantiation(self):
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config = Config(
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mem=1,
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level="b3lyp/aug-cc-pVDZ",
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n_atoms=10
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)
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self.assertIsInstance(config, Config)
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def test_config_raises_exception_on_mem_none(self):
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with self.assertRaises(ValueError):
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Config(
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mem=None,
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level="b3lyp/aug-cc-pVDZ",
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n_atoms=10
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)
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def test_config_raises_exception_on_mem_zero_or_negative(self):
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with self.assertRaises(ValueError):
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Config(
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mem=0,
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level="b3lyp/aug-cc-pVDZ",
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n_atoms=10
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)
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with self.assertRaises(ValueError):
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Config(
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mem=-1,
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level="b3lyp/aug-cc-pVDZ",
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n_atoms=10
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)
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def test_config_raises_exception_on_level_none(self):
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with self.assertRaises(ValueError):
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Config(
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mem=1,
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level=None,
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n_atoms=10
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)
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def test_config_raises_exception_on_n_atoms_zero(self):
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with self.assertRaises(ValueError):
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Config(
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mem=1,
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level="b3lyp/aug-cc-pVDZ",
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n_atoms=0
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)
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