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Fix the CDK C.plus atom type, there was already comment in the test t… #1011

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Merged
merged 1 commit into from
Sep 5, 2023
Merged

Fix the CDK C.plus atom type, there was already comment in the test t… #1011

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2 changes: 1 addition & 1 deletion base/core/src/main/java/org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java
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Original file line number Diff line number Diff line change
Expand Up @@ -469,7 +469,7 @@ private IAtomType perceiveCarbons(IAtomContainer atomContainer, IAtom atom,
} else if (isCharged(atom)) {
if (isCharge(atom, 1)) {
if (connectedBonds.isEmpty()) {
IAtomType type = getAtomType("C.plus.sp2");
IAtomType type = getAtomType("C.plus.planar");
if (isAcceptable(atom, atomContainer, type, connectedBonds)) return type;
} else {
IBond.Order maxBondOrder = getMaximumBondOrder(connectedBonds);
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2 changes: 1 addition & 1 deletion base/test-core/src/test/java/org/openscience/cdk/atomtype/CDKAtomTypeMatcherTest.java
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Expand Up @@ -1356,7 +1356,7 @@ void testCarbokation_implicitHydrogen() throws Exception {
atom2.setFormalCharge(+1);
mol.addAtom(atom2);

String[] expectedTypes = {"C.plus.sp2"}; // FIXME: compare with previous test... same compound!
String[] expectedTypes = {"C.plus.planar"};
assertAtomTypes(testedAtomTypes, expectedTypes, mol);
}

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