From 67021d665621e314103308cd39b81528938f7f7d Mon Sep 17 00:00:00 2001 From: Aliaksandr Dziarkach <18146690+AliaksandrDziarkach@users.noreply.github.com> Date: Tue, 12 Sep 2023 00:07:25 +0300 Subject: [PATCH] #1254 SMARTS with component-level grouping saved without '()' Fix format --- core/indigo-core/molecule/src/query_molecule.cpp | 2 +- core/indigo-core/tests/tests/formats.cpp | 2 -- 2 files changed, 1 insertion(+), 3 deletions(-) diff --git a/core/indigo-core/molecule/src/query_molecule.cpp b/core/indigo-core/molecule/src/query_molecule.cpp index 891686f19c..4b0963007d 100644 --- a/core/indigo-core/molecule/src/query_molecule.cpp +++ b/core/indigo-core/molecule/src/query_molecule.cpp @@ -2162,7 +2162,7 @@ void QueryMolecule::_calculateComponentNeighbors() std::list>& QueryMolecule::getComponentNeighbors() { - if(!_component_neighbors_valid) + if (!_component_neighbors_valid) _calculateComponentNeighbors(); return _component_neighbors; diff --git a/core/indigo-core/tests/tests/formats.cpp b/core/indigo-core/tests/tests/formats.cpp index 4b35d62915..b06cb89372 100644 --- a/core/indigo-core/tests/tests/formats.cpp +++ b/core/indigo-core/tests/tests/formats.cpp @@ -328,7 +328,6 @@ TEST_F(IndigoCoreFormatsTest, smarts_load_save) { QueryMolecule q_mol; - //std::string smarts_in{"([#8:1].[#6:2])"}; std::string smarts_in{"([#8].[#6]).([#6].[#8])"}; BufferScanner scanner(smarts_in.c_str()); SmilesLoader loader(scanner); @@ -342,4 +341,3 @@ TEST_F(IndigoCoreFormatsTest, smarts_load_save) std::string smarts_out{out.ptr(), static_cast(out.size())}; ASSERT_EQ(smarts_in, smarts_out); } -