From 3afc146081723ec51f3be6912bf27a2de81dca4f Mon Sep 17 00:00:00 2001 From: Andrew White Date: Sat, 16 Aug 2025 16:38:34 -0700 Subject: [PATCH] Made tests stricter --- tests/some_mols_zinc.txt | 1 - tests/test_molbloom.py | 4 ++-- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/tests/some_mols_zinc.txt b/tests/some_mols_zinc.txt index ce27778..3b45463 100644 --- a/tests/some_mols_zinc.txt +++ b/tests/some_mols_zinc.txt @@ -1,4 +1,3 @@ -c1ccc(c(c1)C(=O)OCC[C@@H]2CCCC[NH2+]2)N ZINC000000000638_1 Cc1ccccc1OC[C@@H](C[NH+]2CCC=CC2)O ZINC000000000794_1 COc1cc(cc(c1OC)OC)/C=C/C(=O)N ZINC000000001157_1 c1cc(=O)[nH]cc1C(=O)N2CCCCC2 ZINC000000003546_1 diff --git a/tests/test_molbloom.py b/tests/test_molbloom.py index 95b9e15..7cb4031 100644 --- a/tests/test_molbloom.py +++ b/tests/test_molbloom.py @@ -59,7 +59,7 @@ def test_fpr(): if molbloom.buy(rs, catalog="zinc-instock-mini"): fp += 1 count += 1 - assert count > 1000 + assert count > 1000 and fp / count < 0.1 print("False positive rate for instock mini {:f} (N={})".format(fp / count, count)) count = 0 @@ -77,7 +77,7 @@ def test_fpr(): if molbloom.buy(rs, catalog="zinc20"): fp += 1 count += 1 - assert count > 1000 and fn < 5 + assert count > 1000 and fn == 0 print("False positive rate for zinc all is {:f} (N={})".format(fp / count, count))