Greg Landrum
edd922c99c
Cleanup warnings from clang-10 ( #3238 )
...
* stop returning local memory in exceptions
* remove a couple unnecessary copies in loops
* fix a bug in the way the default MMFF aromatic parameters are constructed
* remove a bunch of loop-variable warnings
* remove a bunch of clang warnings
* disable clang warnings in python wrappers
* remove some warnings when building the python wrappers
2020-06-19 17:16:22 -04:00
Brian Kelley
373a89021e
Change boost int types to std types ( #2233 )
2019-01-22 17:45:03 +01:00
Greg Landrum
915cf08faa
run clang-format with c++-11 style over that
2017-04-22 17:19:10 +02:00
Greg Landrum
7c0bb0b743
clang-tidy output
2017-04-22 17:09:24 +02:00
Greg Landrum
e08e0d16d8
first pass, using google style
2015-11-14 14:58:11 +01:00
Greg Landrum
e37296d7c7
post review
2015-11-14 08:08:14 +01:00
Brian Kelley
403a3d6b7c
Suppresses Boost warnings
2015-10-18 13:41:03 -04:00
Greg Landrum
47931754da
fix DbCLI tests; includes fixing the pickling of SparseIntVects
2014-06-24 07:17:12 +02:00
Greg Landrum
50332b599e
get some of the pickle problems resolved; this probably only works with python3 and is not yet 100% functional
2014-06-19 06:05:42 +02:00
Greg Landrum
879efa3be3
add support for integer arithmatic ops on SparseIntVects. operator+ et al. do not yet work from python
2013-08-26 06:51:13 +02:00
Greg Landrum
29312e73e1
minor updates
2012-01-03 07:50:53 +00:00
Greg Landrum
f3fbef45c5
update copyright statements
2010-09-26 17:04:37 +00:00
Greg Landrum
1480eccb87
expose tanimoto similarity on SparseIntVects
2009-06-19 04:19:45 +00:00
Greg Landrum
423433a3e4
support Tversky similarity for SparseIntVects
2009-06-18 14:37:03 +00:00
Greg Landrum
b50e69b171
bad argument removed
2009-01-05 05:02:21 +00:00
Greg Landrum
299689095a
operator== and operator!= should be const; support unsigned SparseIntVects as well
2008-07-28 03:40:30 +00:00
Greg Landrum
029e08d6b4
merge in the changes from the 64 bit port branch r703:717
2008-06-11 05:01:17 +00:00
Greg Landrum
a6c1a64d1a
remove some compiler warnings
...
rearrange the argument ordering for the Dice similarity stuff so
that it can be invoked the same as the other similarity metrics.
2008-04-24 19:03:34 +00:00
Greg Landrum
213c2323bd
add returnDistances support to the SparseIntVects too
2008-04-24 12:06:29 +00:00
Greg Landrum
9bb88cb2cf
- speed up Dice similarity between SparseIntVects (a lot)
...
- add bulk Dice similarity for SIVs to wrapper
- speed up bulk Dice similarity for bit vects
- test a bit more
2008-04-15 05:18:52 +00:00
Greg Landrum
93834a90bd
remove support for the useAbs function;
...
add bounds support on the dice metric
2007-10-05 15:35:11 +00:00
Greg Landrum
0ab0653c18
move DiceSimilarity code into c++
2007-10-04 03:34:06 +00:00
Greg Landrum
67f7dab587
fix a problem with __len__ in python (can't do it if we return a Long);
...
wrap GetLength() instead;
add getNonzeroElements()
2007-09-28 03:45:03 +00:00
Greg Landrum
7726cb9d8a
getting close to right here; still needs windows testing
2007-09-23 06:54:37 +00:00
Greg Landrum
1fa8cd321b
add SparseIntVect in both c++ and Python
...
This still needs windows testing.
2007-09-22 18:49:37 +00:00
