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* stop removing substance groups with replaceAtom() change default for keepSGroups argument to replaceBond() * enable logging output for the fileparserscatch * basics of parsing SMARTSQ SubstanceGroups * Fixes #4476 test coming in the next commit * handle multi-atom SMARTS as recursive more testing Test #4476 * a bit of cleanup * get the tests working * additional testing * Update Code/GraphMol/FileParsers/MolFileParser.cpp Co-authored-by: Ric <ricrogz@users.noreply.github.com> Co-authored-by: Ric <ricrogz@users.noreply.github.com>
20 lines
470 B
C++
20 lines
470 B
C++
//
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// Copyright (C) 2020 Greg Landrum
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#define CATCH_CONFIG_RUNNER
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#include "catch.hpp"
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#include <RDGeneral/RDLog.h>
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int main(int argc, char* argv[]) {
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RDLog::InitLogs();
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int result = Catch::Session().run(argc, argv);
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return result;
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} |