diff --git a/src/gaspype/_operations.py b/src/gaspype/_operations.py index f70ef3b..e381bf9 100644 --- a/src/gaspype/_operations.py +++ b/src/gaspype/_operations.py @@ -167,7 +167,7 @@ def equilibrium(f: fluid | elements, t: float | FloatArray, p: float = 1e5) -> f # the constant np.linalg.pinv(a) can be precomputed for each fs. return np.dot(np.linalg.pinv(matrix), array_elemental_composition) - print('-->', f.array_elemental_composition.shape, f.fs.array_species_elements.transpose().shape) + # print('-->', f.array_elemental_composition.shape, f.fs.array_species_elements.transpose().shape) composition = np.apply_along_axis(linalg_lstsq, -1, f.array_elemental_composition, f.fs.array_species_elements.transpose()) return fluid(composition, f.fs) @@ -176,12 +176,12 @@ def equilibrium(f: fluid | elements, t: float | FloatArray, p: float = 1e5) -> f assert f.shape == tuple(), 'Multidimensional temperature can currently only used for 0D fluids' t_composition = np.zeros(t.shape + (f.fs.array_species_elements.shape[0],)) for t_index in np.ndindex(t.shape): - t_composition[t_index] = _equilibrium_solver(f.fs, f.array_elemental_composition, t[t_index], p) + t_composition[t_index] = _equilibrium_solver(f.fs, f.array_elemental_composition, float(t[t_index]), p) return fluid(t_composition, f.fs) else: composition = np.ones(f.shape + (len(f.fs.species),), dtype=float) for index in np.ndindex(f.shape): - #print(composition.shape, index, _equilibrium(f.fs, f._element_composition[index], t, p)) + # print(composition.shape, index, _equilibrium(f.fs, f._element_composition[index], t, p)) composition[index] = _equilibrium_solver(f.fs, f.array_elemental_composition[index], t, p) return fluid(composition, f.fs)