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add conditional logic for GETAWAY test (#8923)

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This commit is contained in:
Anton Siomchen
2025-11-04 16:05:56 +01:00
committed by greg landrum
parent 1b94273ba9
commit 5ed46eeb3b
1 changed files with 5 additions and 1 deletions
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6
Code/GraphMol/Descriptors/catch_tests.cpp
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@@ -21,7 +21,9 @@
#include <GraphMol/Descriptors/PMI.h>
#include <GraphMol/Descriptors/DCLV.h>
#include <GraphMol/Descriptors/BCUT.h>
#ifdef RDK_BUILD_DESCRIPTORS3D
#include <GraphMol/Descriptors/GETAWAY.h>
#endif
using namespace RDKit;
@@ -706,6 +708,7 @@ TEST_CASE(
}
}
#ifdef RDK_BUILD_DESCRIPTORS3D
TEST_CASE("Github #7264: GETAWAY descriptors are non-deterministic") {
SECTION("as reported") {
v2::SmilesParse::SmilesParserParams ps;
@@ -727,4 +730,5 @@ TEST_CASE("Github #7264: GETAWAY descriptors are non-deterministic") {
CHECK(res1[i] == res2[i]);
}
}
}
}
#endif