Ric 39bcee635e Mem checkup (#3083) ...

* clean up in testDatastructs

* avoid jump on unassigned mem in rxns

* set valgrind error exit code

* update suppressions

* clean up RDValue in testDict

* don't leak mol if parsing Maestro file fails

* don't leak mol if parsing PDB block fails

* cleanup leftover rxns in testReaction

* cleanup mol if CX extensions cannot be parsed

* cleanup leftover mols in smiTest1

* cleanup leftover mols in moldraw2DTest1

* cleanup leftover mols in testSubstructMatch

* make testEnumeration go easier on valgrind

* reduce R counts

2020-04-17 17:48:58 +02:00

..

testExecs

Unset executable flag

2019-10-10 20:18:43 +09:00

bench.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

bond-query.cdxml

Unset executable flag

2019-10-10 20:18:43 +09:00

catch_tests.cpp

Address build warnings (#3082)

2020-04-17 14:40:15 +02:00

CMakeLists.txt

Cleanup some cmake dependencies (#3077)

2020-04-17 14:34:23 +02:00

cmd_match.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

list-query.cdxml

Unset executable flag

2019-10-10 20:18:43 +09:00

regress.txt

Unset executable flag

2019-10-10 20:18:43 +09:00

SubstructMatch.cpp

Address build warnings (#3082)

2020-04-17 14:40:15 +02:00

SubstructMatch.h

Allow enhanced stereo to be used in substructure search (#3003)

2020-03-21 05:12:40 +01:00

SubstructUtils.cpp

Dev/pvs studio cleanups2 (#2877)

2020-01-22 15:10:58 +01:00

SubstructUtils.h

Add options for substructure searching (#2254)

2019-02-08 09:10:10 -05:00

test1.cpp

Mem checkup (#3083)

2020-04-17 17:48:58 +02:00

ullmann.hpp

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

UnitTestSubstruct.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

vf2.hpp

Dev/pvs studio cleanups2 (#2877)

2020-01-22 15:10:58 +01:00