openmmtools.utils.is_quantity_close

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

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

Parameters:
quantity1openmm.unit.Quantity

The first quantity to compare.

quantity2openmm.unit.Quantity

The second quantity to compare.

rtolfloat, optional

Relative tolerance (default is 1e-10).

atolfloat, 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.