From 42fe52b6ce92ce690927a60b512a8c46055ddc84 Mon Sep 17 00:00:00 2001 From: Jennifer A Clark Date: Wed, 10 Jan 2024 09:22:00 -0500 Subject: [PATCH] Update saturation_properties.py --- .../parameter_fitting/data_classes/saturation_properties.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/despasito/parameter_fitting/data_classes/saturation_properties.py b/despasito/parameter_fitting/data_classes/saturation_properties.py index 7dd629e..0da7732 100644 --- a/despasito/parameter_fitting/data_classes/saturation_properties.py +++ b/despasito/parameter_fitting/data_classes/saturation_properties.py @@ -34,8 +34,11 @@ class Data(ExpDataTemplate): * calculation_type (str) - Optional, default='saturation_properties' * MultiprocessingObject (obj) - Optional, Initiated :class:`~despasito.utils.parallelization.MultiprocessingJob` * eos_obj (obj) - Equation of state object - * T (list) - List of temperature values for calculation + * T (list) - [K] List of temperature values for calculation * xi (list) - (or yi) List of liquid mole fractions used in saturation properties calculations, should be one for the molecule of focus and zero for the remainder. + * Psat (list) - [Pa] List of saturation pressure values + * rhov (list) - [mol/:math:`m^3`] List of vapor density values + * rhol (list) - [mol/:math:`m^3`] List of liquid density values * weights (dict) - A dictionary where each key is a system constraint (e.g. T or xi) which is also a header used in an optional exp. data file. The value associated with a header can be a list as long as the number of data points to multiply by the objective value associated with each point, or a float to multiply the objective value of this data set. * density_opts (dict) - Optional, default={"min_density_fraction":(1.0 / 60000.0), "density_increment":10.0, "max_volume_increment":1.0E-4}, Dictionary of options used in calculating pressure vs. mole fraction curves. * kwargs for :func:`~despasito.parameter_fitting.fit_functions.obj_function_form`