Anna Brünisholz
1734ef8071
Cleaner forloops, deleting of empty header file ( #7320 )
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* clean up of python and c++ for-loops
* readd assignement
* Remove misleading walrus operators (#7323 )
* Run installed tests if applicable (#7325 )
* simpler check for equality
* Revert "simpler check for equality"
py assert does not work pointwise on lists on all platforms,
we need to iterate through all elements
This reverts commit 03cc0ad1a6m.swain@me.com >
2024-04-07 05:41:29 +02:00
Greg Landrum
d41752d558
run clang-tidy with readability-braces-around-statements ( #2899 )
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* run clang-tidy with readability-braces-around-statements
clang-format the results
clean up all the parts that clang-tidy-8 broke
* fix problem on windows
2020-01-25 14:19:32 +01:00
Brian Kelley
373a89021e
Change boost int types to std types ( #2233 )
2019-01-22 17:45:03 +01:00
Matt Swain
e57b7a9bc8
Use numpy not numeric for boost 1.65+ - fixes #1581 ( #1664 )
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boost python numeric no longer exists in boost 1.65, so check boost version and conditionally use boost python numpy.
2017-11-20 05:44:19 +01:00
Greg Landrum
a7065dc36d
fixes #1447 ( #1529 )
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* fixes #1447
* python2 compatibility
2017-08-23 17:25:04 -04:00
Greg Landrum
b9ba12f8f9
Remove extra calls to python::register_exception_translator
2016-03-01 06:36:54 +01:00
Greg Landrum
08ce5a287d
crude initial python wrapper
2016-01-12 12:09:54 +01:00
Greg Landrum
79e1f8b1fa
compiles without numpy warnings, all tests pass on ubuntu 15.04 with numpy 1.10
2015-11-28 06:49:34 +01:00
Greg Landrum
e08e0d16d8
first pass, using google style
2015-11-14 14:58:11 +01:00
Brian Kelley
403a3d6b7c
Suppresses Boost warnings
2015-10-18 13:41:03 -04:00
Riccardo Vianello
3358ec5925
initial set of changes introducing python3 support
2014-06-17 18:26:41 +02:00
Greg Landrum
8d651453b8
Fixes #281
2014-06-17 15:38:56 +02:00
Greg Landrum
72efd4a58b
support a somewhat more consistent API for size/value info across the data types;
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add DataStructs.ConvertToNumpyArray function;
2012-12-03 08:41:53 +00:00
Greg Landrum
3b3d44db16
remove exe property from source files
2011-01-13 04:22:56 +00:00
Greg Landrum
f3fbef45c5
update copyright statements
2010-09-26 17:04:37 +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
Greg Landrum
c3dc1fd914
These are mostly documentation changes. Exceptions are noted below.
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Wrap/MolChemicalFeature.cpp: expose ClearCache() method.
RDCode.sln: fix a dependency
2007-04-24 04:24:22 +00:00
Greg Landrum
5d03333c22
setup svn keywords (should have done this before import... grn)
2006-05-06 22:54:39 +00:00
Greg Landrum
75a79b6327
initial import
2006-05-06 22:20:08 +00:00
