From 123b634b271c261c12d6a435887897626e7b2b8c Mon Sep 17 00:00:00 2001 From: rlaplaza Date: Thu, 9 Mar 2023 13:26:13 +0100 Subject: [PATCH] Fixed tests failing due to extra argument being passed. --- navicat_volcanic/tof.py | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/navicat_volcanic/tof.py b/navicat_volcanic/tof.py index d461597..9e378d4 100755 --- a/navicat_volcanic/tof.py +++ b/navicat_volcanic/tof.py @@ -156,17 +156,17 @@ def test_tof(): a = np.array([0.0, 8.59756198, 7.1439459, 12.47470641, -27.48101312]) dgr_a = -5.8 coeff_a = [0, 1, 0, 1, 0] - etof, xetof = calc_tof(a, dgr_a, T, coeff_a, exact=True, verb=0) + etof, xetof, _ = calc_tof(a, dgr_a, T, coeff_a, exact=True, verb=0) assert np.isclose(etof, 5.71e-13, 4) - atof, xatof = calc_tof(a, dgr_a, T, coeff_a, exact=False, verb=0) + atof, xatof, _ = calc_tof(a, dgr_a, T, coeff_a, exact=False, verb=0) T = 298.15 c = np.array([0.0, -1.2, 3.7, 18.9, 3.8, 7.4, -3.8, -1.0, 6.0, 20.1]) dgr_c = -6.5 coeff_c = [0, 0, 0, 1, 0, 0, 0, 0, 0, 1] - etof, xetof = calc_tof(c, dgr_c, T, coeff_c, exact=True, verb=0) + etof, xetof, _ = calc_tof(c, dgr_c, T, coeff_c, exact=True, verb=0) assert np.isclose(etof, 1.84e-05, 4) - atof, xatof = calc_tof(c, dgr_c, T, coeff_c, exact=False, verb=0) + atof, xatof, _ = calc_tof(c, dgr_c, T, coeff_c, exact=False, verb=0) def test_aryl_ether_cleavage(): @@ -181,11 +181,11 @@ def test_aryl_ether_cleavage(): # Ni(PBu3) c = np.array([0.0, 4.68, 27.95, 13.85, 25.95, -14.93, -24.80, 2.07]) - etof, xetof = calc_tof(a, dgr, T, coeff, exact=True, verb=0) + etof, xetof, _ = calc_tof(a, dgr, T, coeff, exact=True, verb=0) assert np.isclose(etof, 6.91e-04, 4) - etof, xetof = calc_tof(b, dgr, T, coeff, exact=True, verb=0) + etof, xetof, _ = calc_tof(b, dgr, T, coeff, exact=True, verb=0) assert np.isclose(etof, 2.89e-11, 4) - etof, xetof = calc_tof(c, dgr, T, coeff, exact=True, verb=0) + etof, xetof, _ = calc_tof(c, dgr, T, coeff, exact=True, verb=0) assert np.isclose(etof, 6.85e-04, 4)