Created
March 31, 2020 17:55
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diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt | |
index 1a53e8cdd..bbf92481c 100644 | |
--- a/test/CMakeLists.txt | |
+++ b/test/CMakeLists.txt | |
@@ -23,7 +23,7 @@ set (cpptests | |
) | |
set (alias_parts 1) | |
set (automorphism_parts 1 2 3 4 5 6 7 8 9 10) | |
-set (builder_parts 1 2 3 4 5) | |
+set (builder_parts 1 2 3 4 5 6) | |
set (canonconsistent_parts 1 2 3) | |
set (canonfragment_parts 1) | |
set (canonstable_parts 1) | |
diff --git a/test/buildertest.cpp b/test/buildertest.cpp | |
index ff7f06a89..fc2e871c8 100644 | |
--- a/test/buildertest.cpp | |
+++ b/test/buildertest.cpp | |
@@ -96,7 +96,7 @@ bool doSMILESBuilderTest(string smiles) | |
OBBuilder builder; | |
OB_REQUIRE(builder.Build(mol, false)); // some stereo errors are known | |
- return mol.Has3D(); | |
+ return (mol.Has3D() && mol.HasNonZeroCoords()); | |
} | |
int buildertest(int argc, char* argv[]) | |
@@ -147,6 +147,10 @@ int buildertest(int argc, char* argv[]) | |
// from Martin Guetlein -- PR#3107218 ("OBBuilder terminates while building 3d") | |
OB_ASSERT( doSMILESBuilderTest("N12[C@@H]([C@@H](NC([C@@H](c3ccsc3)C(=O)O)=O)C2=O)SC(C)(C)[C@@-]1C(=O)O") ); | |
break; | |
+ case 6: | |
+ // from Hubertus van Dam -- #2144 | |
+ OB_ASSERT( doSMILESBuilderTest("OC1(C2=CN(CC3=CC=CC=C3F)N=N2)CCOC1") ); | |
+ break; | |
default: | |
cout << "Test number " << choice << " does not exist!\n"; | |
return -1; |
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