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models #

Common pydantic validators.

Classes:

OpenMMQuantity #

Bases: Quantity

A pydantic safe OpenMM quantity type validates unit compatibility.

BaseModel pydantic-model #

Bases: BaseModel

Config:

  • extra: 'forbid'
  • validate_default: True
  • validate_assignment: True

model_dump_yaml #

model_dump_yaml(
    output_path: Path | None = None, **kwargs
) -> str

Dump the model to a YAML representation.

Parameters:

  • output_path (Path | None, default: None ) –

    The (optional) path to save the YAML representation to.

Returns:

  • str –

    The YAML representation.

Source code in femto/md/utils/models.py 
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def model_dump_yaml(self, output_path: pathlib.Path | None = None, **kwargs) -> str:
    """Dump the model to a YAML representation.

    Args:
        output_path: The (optional) path to save the YAML representation to.

    Returns:
        The YAML representation.
    """

    model_yaml = yaml.safe_dump(self.model_dump(), **kwargs)

    if output_path is not None:
        output_path.parent.mkdir(exist_ok=True, parents=True)
        output_path.write_text(model_yaml)

    return model_yaml