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test(fmt/smi): add test for implicit hydrogen count
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jnooree committed Apr 12, 2024
1 parent 4c6e5fc commit 05b89cc
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5 changes: 5 additions & 0 deletions test/fmt/smiles_test.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -694,6 +694,11 @@ TEST_F(SmilesTest, DUDEExamplesTest) {
std::string smi;

NURI_FMT_TEST_NEXT_MOL("C02302104", 26, 29);

// GH-298
EXPECT_EQ(mol()[13].data().implicit_hydrogens(), 0);
EXPECT_EQ(mol()[13].data().formal_charge(), 0);

write_smiles(smi, mol());

set_test_string(smi);
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