Greg Landrum
6795e2361d
remove some vestigial scripts ( #1440 )
2017-06-01 13:47:37 -04:00
gedeck
8a5403f176
Refactor FeatFinderCLI and add unittests ( #1299 )
...
* 1194: Review assignments of range in Python code
Task-Url: https://github.com/rdkit/rdkit/issues/1194
Either wrapped the range expression into a list or made sure that the
code is working with a range object.
* Refactored FeatFinderCLI script
* Add unit test file for CLI apps in rdkit.Chem
Add tests for FeatFinderCLI
* Renamed the unit test file
* Slight improvement to test coverage
* Address comments from review
* Add script to Scripts folder #1305
2017-02-10 08:03:59 +01:00
Greg Landrum
304fbf593e
merge
2016-10-30 10:16:14 +01:00
gedeck
0845573a45
Script PythonFormat uses yapf to check the formatting of Python files
2016-10-29 17:13:13 -04:00
gedeck
4580160e37
Replace has_key use in Python (#issue1042) ( #1132 )
...
* Replaced all uses of dict.has_key(key) in Python code - part 1
* Replaced all uses of dict.has_key(key) in Python code - part 1
* Replaced all uses of dict.has_key(key) in Python code - part 2 (sping)
2016-10-29 04:41:57 +02:00
gedeck
e9af48ffd7
Issue1071/yapf ( #1078 )
...
* 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
Riccardo Vianello
95f60d21bc
python3 portability fixes for pandas and the ipython notebook
2014-09-11 23:49:45 +02:00
Greg Landrum
33e7be513d
we're going to call the package rdkit, not pyRDKit
2009-01-26 20:08:53 +00:00
Greg Landrum
67d172640a
make test directory naming consistent
2009-01-23 17:14:03 +00:00
Greg Landrum
0af0d03f95
update the way tests are run here
2009-01-21 19:31:34 +00:00
Greg Landrum
278a1cb282
update for next release
2008-02-20 17:09:24 +00:00
Greg Landrum
a1951b8d34
use new build system
2007-11-27 07:18:15 +00:00
Greg Landrum
807588b011
add epydoc
2007-11-21 20:32:11 +00:00
Greg Landrum
bedfd5fa31
pull and test Projects; cleanups
2007-10-05 05:34:06 +00:00
Greg Landrum
2431d14c71
build test databases here;
...
other minor updates
2007-09-26 03:52:08 +00:00
Greg Landrum
967502fe9b
generalize the MailResults script
2007-09-26 03:51:18 +00:00
Greg Landrum
1639fcb6e9
create a version that actually works (for me). Other users will need to change the SMTP hostname
2006-05-11 18:21:52 +00:00
Greg Landrum
8853a347f5
seems to be working now
2006-05-08 22:21:01 +00:00
Greg Landrum
47695fa0d2
script cleanup
2006-05-08 19:53:40 +00:00
Greg Landrum
f3b0791b95
script cleanup
2006-05-08 19:51:32 +00:00
Greg Landrum
75a79b6327
initial import
2006-05-06 22:20:08 +00:00
