Ric 6224a42516 Build warnings revisited (#2318) ...

* unused vars in bison parser cleanup

* initialization order in TopologicalTorsionGenerator

* unused params in SLN bison

* sln flex unused params

* throwing destructor in TDTWriter

* signed comparison in substructmethods

* unused input param in smiles/smarts bison

* unused ms param in sln bison

* signed comparison in FingerprintGenerator

* store return of fscanf in StructCheckerOptions

* unreferenced var in catch

* uninitialized value in FileParserUtils

* avoid override overload warning in MolDraw2DSVG

* non-final overrides in Validate.h

* unused static var in Avalon

* unused vars in catch blocks

* make AvalonTools avalonSimilarityBits & avalonSSSBits const int

* assert fscanf result in StructCheckerOptions

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

..

testData

forgot to add the test files

2016-03-15 02:51:20 -07:00

testExecs

initial import

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

Wrap

Less warnings (#2155)

2019-01-06 06:30:14 +00:00

AtomPairGenerator.cpp

Less warnings (#2155)

2019-01-06 06:30:14 +00:00

AtomPairGenerator.h

add the appropriate exports for the new fingerprint code (#2098)

2018-10-08 11:10:23 +02:00

AtomPairs.cpp

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

AtomPairs.h

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

CMakeLists.txt

GSoC 2018 - Fingerprints (#2005)

2018-10-07 05:02:12 +02:00

FingerprintGenerator.cpp

Build warnings revisited (#2318)

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

FingerprintGenerator.h

add the appropriate exports for the new fingerprint code (#2098)

2018-10-08 11:10:23 +02:00

Fingerprints.cpp

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

Fingerprints.h

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

FingerprintUtil.cpp

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

FingerprintUtil.h

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

MACCS.cpp

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

MACCS.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

MorganFingerprints.cpp

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

MorganFingerprints.h

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

MorganGenerator.cpp

Less warnings (#2155)

2019-01-06 06:30:14 +00:00

MorganGenerator.h

add the appropriate exports for the new fingerprint code (#2098)

2018-10-08 11:10:23 +02:00

PatternFingerprints.cpp

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

RDKitFPGenerator.cpp

Less warnings (#2155)

2019-01-06 06:30:14 +00:00

RDKitFPGenerator.h

add the appropriate exports for the new fingerprint code (#2098)

2018-10-08 11:10:23 +02:00

test1.cpp

Build warnings revisited (#2318)

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

test_list.py

Issue1071/yapf (#1078)

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

testFingerprintGenerators.cpp

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

TopologicalTorsionGenerator.cpp

Build warnings revisited (#2318)

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

TopologicalTorsionGenerator.h

add the appropriate exports for the new fingerprint code (#2098)

2018-10-08 11:10:23 +02:00