Greg Landrum
24f1737839
Remove a bunch of Python2-related warts ( #2315 )
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* remove all of the "from __future__" imports
* remove the first batch of rdkit.six imports/uses
* next step of rdkit.six removal
* removing xrange, range, and some maps
* next round of removals
* next round of cleanups
* fix inchi test
* last bits of "from rdkit.six" are gone
* and the last of the six stuff is gone
* strange importlib problem
2019-03-06 20:43:49 -05:00
gedeck
e9af48ffd7
Issue1071/yapf ( #1078 )
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* Issue #1071 : add yapf configuration file
* yapf formatting of Code directory
* yapf formatting of Contrib directory
* yapf formatting of Data directory
* yapf formatting of Docs directory
* yapf formatting of External directory
* yapf formatting of Projects directory
* yapf formatting of Regress directory
* yapf formatting of Scripts directory
* yapf formatting of Web directory
* yapf formatting of rdkit directory
2016-09-23 04:58:46 +02:00
Paolo Tosco
4f7482139f
- fixed tests failing on Windows when retrieving sources through the
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Windows git client, which converts line terminators to CR+LF
- added a conditional compilation clause to Code/RDBoost/import_array.h
to avoid a compilation error on Windows with Python3
2015-02-22 21:49:40 +00:00
Riccardo Vianello
3358ec5925
initial set of changes introducing python3 support
2014-06-17 18:26:41 +02:00
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
8bf7a4c187
now all tests pass here as well
2009-02-03 05:26:10 +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
2fdfc3b9e4
- speed up Dice similarity between SparseIntVects (a lot)
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- add bulk Dice similarity for SIVs to wrapper
- speed up bulk Dice similarity for bit vects
- test a bit more
2008-04-15 05:19:48 +00:00
Greg Landrum
67f7dab587
fix a problem with __len__ in python (can't do it if we return a Long);
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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
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This still needs windows testing.
2007-09-22 18:49:37 +00:00
