Files
rdkit/Code/GraphMol/FileParsers/catch_main.cpp
Greg Landrum 58e6743df0 Fixes #4468 and #4476 (#4482)
* 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>
2021-09-05 05:43:13 +02:00

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470 B
C++

//
// Copyright (C) 2020 Greg Landrum
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#define CATCH_CONFIG_RUNNER
#include "catch.hpp"
#include <RDGeneral/RDLog.h>
int main(int argc, char* argv[]) {
RDLog::InitLogs();
int result = Catch::Session().run(argc, argv);
return result;
}