The vectorized submodule is not fully supported throughout the package

Describe the bug The vectorized functionality does not seem to be universally applied.

Minimal Reproducible Example

import chemicals as chem
import numpy as np
from chemicals import vectorized
props = chem.heat_capacity.TRC_gas_data.loc['7732-18-5']  # for water
coeffs = {}
for val in props.index:
    if val.startswith('a'):
        coeffs[val] = props[val]
Cp = chem.heat_capacity.TRCCp(T=np.array([333, 444]), **coeffs)

Additional context The error message is:

ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

This is occurring because of the line:

if T <= a7:

For this to work in a vectorized way, this needs to be if np.all(T < a7).

[jgostick]

Ummm, I just happened to discover that they only work with positional arguments. I think that’ll get me going now…but positional arguments scare me, guess I’ll just have to live with it.

Thanks again!

[jgostick]

Interesting. Our problems are usually limited by the matrix routines, so a few microseconds don’t matter much.

Anyway, new issue: I am getting an ‘invalid number of arguments’ error from all the numba_vectorized functions. Any thoughts?

numba_vectorized.viscosity_gas_Gharagheizi(T=[444, 555], Tc=555, Pc=444, MW=18)

Sorry to be a pain, but we’re integrating chemicals into openpnm for phase property estimation, so we need to apply the functions to millions of values, hence my interest in the speed-ups.