Greg Landrum 3f136946e3 Start using "*" instead of "[*]" in SMILES (#1788)

2018-03-23 15:52:52 -04:00

..

testExecs

initial import

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

CMakeLists.txt

Partial support for reading CXSMILES (#1237)

2017-01-31 13:50:36 -05:00

cxsmiles_test.cpp

Fix cxsmiles parse on VS2008 (#1415)

2017-07-02 10:23:41 +02:00

CXSmilesOps.cpp

another clang-format run

2017-10-12 06:42:15 +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

Support some cactvs extensions to SMARTS (#1704)

2018-01-04 12:00:39 -05:00

lex.yysmiles.cpp.cmake

Support some cactvs extensions to SMARTS (#1704)

2018-01-04 12:00:39 -05:00

main.cpp

first pass, using google style

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

primes.h

first pass, using google style

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

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

Support some cactvs extensions to SMARTS (#1704)

2018-01-04 12:00:39 -05:00

smarts.tab.cpp.cmake

Set atomic properties from SMARTS (#1716)

2018-01-12 11:15:05 -05:00

smarts.tab.hpp.cmake

Set atomic properties from SMARTS (#1716)

2018-01-12 11:15:05 -05:00

smarts.yy

Set atomic properties from SMARTS (#1716)

2018-01-12 11:15:05 -05:00

SmartsWrite.cpp

Fixes #1756 (#1757)

2018-02-22 03:43:46 +01:00

SmartsWrite.h

Make the defaults for some functions less error prone. (#1690)

2017-12-22 08:09:36 -05:00

smatest.cpp

Fixes #1756 (#1757)

2018-02-22 03:43:46 +01:00

smiles.ll

Support some cactvs extensions to SMARTS (#1704)

2018-01-04 12:00:39 -05:00

smiles.tab.cpp.cmake

Support some cactvs extensions to SMARTS (#1704)

2018-01-04 12:00:39 -05:00

smiles.tab.hpp.cmake

Support some cactvs extensions to SMARTS (#1704)

2018-01-04 12:00:39 -05:00

smiles.yy

Support some cactvs extensions to SMARTS (#1704)

2018-01-04 12:00:39 -05:00

SmilesParse.cpp

fix a bug when a name is there but no CXSMILES

2017-12-21 05:45:24 +01:00

SmilesParse.h

Make the defaults for some functions less error prone. (#1690)

2017-12-22 08:09:36 -05:00

SmilesParseOps.cpp

Set atomic properties from SMARTS (#1716)

2018-01-12 11:15:05 -05:00

SmilesParseOps.h

Set atomic properties from SMARTS (#1716)

2018-01-12 11:15:05 -05:00

SmilesWrite.cpp

Start using "*" instead of "[*]" in SMILES (#1788)

2018-03-23 15:52:52 -04:00

SmilesWrite.h

Make the defaults for some functions less error prone. (#1690)

2017-12-22 08:09:36 -05:00

test_list.py

Issue1071/yapf (#1078)

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

test.cpp

Start using "*" instead of "[*]" in SMILES (#1788)

2018-03-23 15:52:52 -04:00