openmmtools.utils.is_quantity_close

openmmtools.utils.is_quantity_close(quantity1, quantity2, rtol=1e-10, atol=0.0)

Check if the quantities are equal up to floating-point precision errors.

Parameters:

quantity1 : simtk.unit.Quantity

The first quantity to compare.

quantity2 : simtk.unit.Quantity

The second quantity to compare.

rtol : float, optional

Relative tolerance (default is 1e-10).

atol : float, optional

Absolute tolerance (default is 0.0).

Returns:

True if the quantities are equal up to approximately 10 digits.

Raises:

TypeError

If the two quantities are of incompatible units.