Greg Landrum 4006f25d58 fix isotope handling in SMILES

2007-02-28 17:51:17 +00:00

..

testExecs

initial import

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

esmiles.flex

initial import

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

esmiles.y

initial import

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

genlex.py

initial import

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

genparse.py

initial import

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

InputFiller.cpp

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

InputFiller.h

initial import

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

main.cpp

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

Makefile

initial import

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

primes.h

initial import

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regress.txt

initial import

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runflex.sh

initial import

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

smamain.cpp

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

smarts.flex

merge in chemical reactions branch (r173:183)

2007-02-23 18:05:50 +00:00

smarts.y

merge in chemical reactions branch (r173:183)

2007-02-23 18:05:50 +00:00

SmartsParseTest.vcproj

- Get windows debug builds working

2006-05-11 00:42:39 +00:00

SmartsWrite.cpp

merge back in changes from ChemTransforms (r30:51);

2006-09-15 16:44:38 +00:00

SmartsWrite.h

initial import

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

smatest.cpp

merge in chemical reactions branch (r173:183)

2007-02-23 18:05:50 +00:00

smiles.flex

initial import

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

smiles.y

initial import

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

SmilesParse.cpp

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

SmilesParse.h

initial import

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

SmilesParse.vcproj

- Get windows debug builds working

2006-05-11 00:42:39 +00:00

SmilesParseOps.cpp

merge back in changes from ChemTransforms (r30:51);

2006-09-15 16:44:38 +00:00

SmilesParseOps.h

merge back in changes from ChemTransforms (r30:51);

2006-09-15 16:44:38 +00:00

SmilesParseTest.vcproj

- Get windows debug builds working

2006-05-11 00:42:39 +00:00

SmilesWrite.cpp

fix isotope handling in SMILES

2007-02-28 17:51:17 +00:00

SmilesWrite.h

merge back in changes from ChemTransforms (r30:51);

2006-09-15 16:44:38 +00:00

test_list.py

initial import

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

test.cpp

fix isotope handling in SMILES

2007-02-28 17:51:17 +00:00