Greg Landrum bc0b177ceb Fixes #2450 (#2457) ...

* Fixes #2450
adds `hasOwningMol()` to the public API for Bond and Atom

* add to other classes;
add to python wrappers

* get the smiles generation partially working

* changes in response to review

2019-05-22 09:23:44 -04:00

..

testExecs

initial import

2006-05-06 22:20:08 +00:00

catch_tests.cpp

Fixes #2450 (#2457)

2019-05-22 09:23:44 -04:00

CMakeLists.txt

Start to use Catch2 for new tests (#1732)

2018-09-04 10:32:17 -04:00

cxsmiles_test.cpp

ignore HTML char codes (#2395)

2019-04-06 05:36:56 +02:00

CXSmilesOps.cpp

ignore HTML char codes (#2395)

2019-04-06 05:36:56 +02:00

esmiles.flex

initial import

2006-05-06 22:20:08 +00:00

esmiles.y

initial import

2006-05-06 22:20:08 +00:00

lex.yysmarts.cpp.cmake

Fix #2197 and #2237 (#2238)

2019-01-24 15:20:08 -05:00

lex.yysmiles.cpp.cmake

Fix #2148 and #2244 (#2275)

2019-02-21 08:03:28 -07:00

main.cpp

first pass, using google style

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

primes.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

regress.txt

initial import

2006-05-06 22:20:08 +00:00

runflex.sh

initial import

2006-05-06 22:20:08 +00:00

smamain.cpp

first pass, using google style

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

smarts.ll

Fix #2197 and #2237 (#2238)

2019-01-24 15:20:08 -05:00

smarts.tab.cpp.cmake

Build warnings revisited (#2318)

2019-03-08 16:42:54 +01:00

smarts.tab.hpp.cmake

Mem errors clean up (#2305)

2019-03-08 05:39:59 +01:00

smarts.yy

Build warnings revisited (#2318)

2019-03-08 16:42:54 +01:00

SmartsWrite.cpp

Fixes #2450 (#2457)

2019-05-22 09:23:44 -04:00

SmartsWrite.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

smatest.cpp

Fixes #2142 (#2146)

2018-11-08 12:04:06 -05:00

smiles.ll

Fix #2148 and #2244 (#2275)

2019-02-21 08:03:28 -07:00

smiles.tab.cpp.cmake

Build warnings revisited (#2318)

2019-03-08 16:42:54 +01:00

smiles.tab.hpp.cmake

Mem errors clean up (#2305)

2019-03-08 05:39:59 +01:00

smiles.yy

Build warnings revisited (#2318)

2019-03-08 16:42:54 +01:00

SmilesParse.cpp

Mem errors clean up (#2305)

2019-03-08 05:39:59 +01:00

SmilesParse.h

Build warnings revisited (#2318)

2019-03-08 16:42:54 +01:00

SmilesParseOps.cpp

Fixes #2303 (#2304)

2019-03-04 08:58:12 +01:00

SmilesParseOps.h

Fix #2148 and #2244 (#2275)

2019-02-21 08:03:28 -07:00

SmilesWrite.cpp

Fixes #2450 (#2457)

2019-05-22 09:23:44 -04:00

SmilesWrite.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

test2.cpp

moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)

2018-10-11 17:35:23 -04:00

test_list.py

Issue1071/yapf (#1078)

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

test.cpp

Address compile warnings & trivial improvements (#2097)

2018-10-12 06:39:32 -04:00