Implements More Tests and Begins Dice Refactor Implementation
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@@ -24,27 +24,27 @@ class DiceDTO(Dataclass):
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def __post_init__(self):
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if self.ljname is None:
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if not isinstance(self.ljname, str):
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raise ValueError(
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"Error: 'ljname' keyword not specified in config file"
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)
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if self.outname is None:
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if not isinstance(self.outname, str):
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raise ValueError(
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"Error: 'outname' keyword not specified in config file"
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)
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if self.dens is None:
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if not isinstance(self.dens, float):
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raise ValueError(
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"Error: 'dens' keyword not specified in config file"
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)
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if self.nmol == 0:
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if not isinstance(self.nmol, list):
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raise ValueError(
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"Error: 'nmol' keyword not defined appropriately in config file"
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)
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if self.nstep == 0:
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if not isinstance(self.nstep, list):
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raise ValueError(
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"Error: 'nstep' keyword not defined appropriately in config file"
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)
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