From 5918981394fd0829447e15f78692a3648a6f9945 Mon Sep 17 00:00:00 2001 From: Chris B <56306881+ChrisBNEU@users.noreply.github.com> Date: Thu, 22 Jul 2021 15:01:59 -0400 Subject: [PATCH] updated covdep vs non covdep check to 'all close' --- rmgpy/solver/surfaceTest.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/rmgpy/solver/surfaceTest.py b/rmgpy/solver/surfaceTest.py index 8448255c9f..1cc6452d21 100644 --- a/rmgpy/solver/surfaceTest.py +++ b/rmgpy/solver/surfaceTest.py @@ -546,7 +546,6 @@ def test_solve_ch3_coverage_dependence(self): initial_surface_coverages={x: 1.0}, surface_volume_ratio=(1., 'm^-1'), surface_site_density=(2.72e-9, 'mol/cm^2'), - coverage_dependence=False, termination=[]) rxn_system.initialize_model(core_species, core_reactions, edge_species, edge_reactions) @@ -582,5 +581,5 @@ def test_solve_ch3_coverage_dependence(self): self.assertAlmostEqual(species_rates_off[-1, 0], 0.0, delta=1e-2) # Check that coverages are different - self.assertFalse(np.array_equal(y,y_off)) - self.assertFalse(np.array_equal(species_rates, species_rates_off)) + self.assertFalse(np.allclose(y,y_off)) + self.assertFalse(np.allclose(species_rates, species_rates_off))