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Made tests stricter #35

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Merged
whitead merged 1 commit into from
Aug 17, 2025
Merged

Made tests stricter #35

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1 change: 0 additions & 1 deletion tests/some_mols_zinc.txt
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Original file line number Diff line number Diff line change
@@ -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
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4 changes: 2 additions & 2 deletions tests/test_molbloom.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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))
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whitead marked this conversation as resolved.

count = 0
Expand All @@ -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))


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