Implements More Tests and Begins Dice Refactor Implementation

This commit is contained in:
2023-04-22 11:27:20 -03:00
parent 71744641ff
commit b869ee74fb
19 changed files with 719 additions and 297 deletions

View File

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