From 2f341075fad5e175fca9b6f63ce3c355b88d3731 Mon Sep 17 00:00:00 2001 From: ElliottKasoar <45317199+ElliottKasoar@users.noreply.github.com> Date: Wed, 5 Mar 2025 19:22:09 +0000 Subject: [PATCH] Fix tests --- tests/test_geomopt_cli.py | 1 - tests/test_phonons_cli.py | 9 ++++----- 2 files changed, 4 insertions(+), 6 deletions(-) diff --git a/tests/test_geomopt_cli.py b/tests/test_geomopt_cli.py index 9a63df25..18fce3f1 100644 --- a/tests/test_geomopt_cli.py +++ b/tests/test_geomopt_cli.py @@ -383,7 +383,6 @@ def test_summary(tmp_path): assert "config" in geomopt_summary assert "minimize_kwargs" in geomopt_summary["config"] - assert "opt_kwargs" in geomopt_summary["config"]["minimize_kwargs"] assert "info" in geomopt_summary assert "struct" in geomopt_summary["info"] diff --git a/tests/test_phonons_cli.py b/tests/test_phonons_cli.py index 7af408ab..20655648 100644 --- a/tests/test_phonons_cli.py +++ b/tests/test_phonons_cli.py @@ -125,8 +125,7 @@ def test_bands_simple(tmp_path): assert "command" in phonon_summary assert "janus phonons" in phonon_summary["command"] assert "config" in phonon_summary - assert "calcs" in phonon_summary["config"] - assert phonon_summary["config"]["calcs"][0] == "bands" + assert phonon_summary["config"]["bands"] def test_hdf5(tmp_path): @@ -269,9 +268,9 @@ def test_plot(tmp_path): assert summary_path.exists() with open(summary_path, encoding="utf8") as file: phonon_summary = yaml.safe_load(file) - assert phonon_summary["config"]["calcs"][0] == "bands" - assert phonon_summary["config"]["calcs"][1] == "dos" - assert phonon_summary["config"]["calcs"][2] == "pdos" + assert phonon_summary["config"]["bands"] + assert phonon_summary["config"]["dos"] + assert phonon_summary["config"]["pdos"] test_data = [