reactants.py

    def isupdateneeded(self, T, V, A):
        needed = True
        while needed:
            if self.qtot is None:
                break
            if T is not None and T != self.T:
                break
            if V is not None and V != self.V:
                break
            if A is not None and A != self.A:
                break
            if np.any([self.scale[param] != self.scale_old[param] \
                    for param in self.scale_params]):
                break
            needed = False
        return needed