Reworked tests; create .csvs with separate script and env -> Added .c…

…sv.gz required for test; updated pyproject.toml -> consistency with biotite
JHKru · Sep 20, 2024 · b53306a · b53306a
1 parent 67f795a
commit b53306a
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Showing 124 changed files with 393 additions and 1,620 deletions.
diff --git a/pyproject.toml b/pyproject.toml
@@ -34,9 +34,9 @@ packages = [
 ]
 
 [tool.poetry.dependencies]
-python = "^3.7"
+python = ">=3.10"
 biotite = ">= 0.32"
-numpy = ">= 1.15"
+numpy = ">= 1.25"
 
 [tool.poetry.dev-dependencies]
 biotite = ">= 2.0"
@@ -50,3 +50,6 @@ ammolite = ">=0.8"
 [build-system]
 requires = ["poetry_core>=1.0.0"]
 build-backend = "poetry.core.masonry.api"
+
+[tool.pytest.ini_options]
+addopts =  "--ignore=tests/data"
diff --git a/tests/data/bio3d_anm_calpha_ff_dcc_mw_1l2y.csv.gz b/tests/data/bio3d_anm_calpha_ff_dcc_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_calpha_ff_dcc_subset_mw_1l2y.csv.gz b/tests/data/bio3d_anm_calpha_ff_dcc_subset_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_calpha_ff_evals_mw_1l2y.csv.gz b/tests/data/bio3d_anm_calpha_ff_evals_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_calpha_ff_fluctuations_non_mw_1l2y.csv.gz b/tests/data/bio3d_anm_calpha_ff_fluctuations_non_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_calpha_ff_fluctuations_subset_mw_1l2y.csv.gz b/tests/data/bio3d_anm_calpha_ff_fluctuations_subset_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_calpha_ff_frequencies_mw_1l2y.csv.gz b/tests/data/bio3d_anm_calpha_ff_frequencies_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_calpha_ff_hessian_1l2y.csv.gz b/tests/data/bio3d_anm_calpha_ff_hessian_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_pfanm_ff_dcc_mw_1l2y.csv.gz b/tests/data/bio3d_anm_pfanm_ff_dcc_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_pfanm_ff_dcc_subset_mw_1l2y.csv.gz b/tests/data/bio3d_anm_pfanm_ff_dcc_subset_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_pfanm_ff_evals_mw_1l2y.csv.gz b/tests/data/bio3d_anm_pfanm_ff_evals_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_pfanm_ff_fluctuations_non_mw_1l2y.csv.gz b/tests/data/bio3d_anm_pfanm_ff_fluctuations_non_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_pfanm_ff_fluctuations_subset_mw_1l2y.csv.gz b/tests/data/bio3d_anm_pfanm_ff_fluctuations_subset_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_pfanm_ff_frequencies_mw_1l2y.csv.gz b/tests/data/bio3d_anm_pfanm_ff_frequencies_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_pfanm_ff_hessian_1l2y.csv.gz b/tests/data/bio3d_anm_pfanm_ff_hessian_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_sdenm_ff_dcc_mw_1l2y.csv.gz b/tests/data/bio3d_anm_sdenm_ff_dcc_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_sdenm_ff_dcc_subset_mw_1l2y.csv.gz b/tests/data/bio3d_anm_sdenm_ff_dcc_subset_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_sdenm_ff_evals_mw_1l2y.csv.gz b/tests/data/bio3d_anm_sdenm_ff_evals_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_sdenm_ff_fluctuations_non_mw_1l2y.csv.gz b/tests/data/bio3d_anm_sdenm_ff_fluctuations_non_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_sdenm_ff_fluctuations_subset_mw_1l2y.csv.gz b/tests/data/bio3d_anm_sdenm_ff_fluctuations_subset_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_sdenm_ff_frequencies_mw_1l2y.csv.gz b/tests/data/bio3d_anm_sdenm_ff_frequencies_mw_1l2y.csv.gz
diff --git a/tests/data/bio3d_anm_sdenm_ff_hessian_1l2y.csv.gz b/tests/data/bio3d_anm_sdenm_ff_hessian_1l2y.csv.gz
diff --git a/tests/data/bio3d_calpha_ff_dcc_mw_1l2y.csv b/tests/data/bio3d_calpha_ff_dcc_mw_1l2y.csv