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test(core): add stricter checks to sanitizer test
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jnooree committed Apr 12, 2024
1 parent c5794ad commit 4c6e5fc
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7 changes: 7 additions & 0 deletions test/core/molecule_test.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -1120,6 +1120,13 @@ TEST(SanitizeTest, Samples) {
for (auto atom: mol)
EXPECT_EQ(atom.data().is_aromatic(), atom.id() != 0) << atom.id();

for (int i: { 1, 2, 5, 6, 7 }) {
auto atom = mol.atom(i);
EXPECT_EQ(atom.data().hybridization(), kSP2) << i;
EXPECT_EQ(atom.data().implicit_hydrogens(), 0) << i;
EXPECT_EQ(atom.data().formal_charge(), 0) << i;
}

mol.clear();

{
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