pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-04 21:54:27 +08:00
Code Issues Packages Projects Releases Wiki Activity
5,592 Commits 44 Branches 202 Tags
appveyor_tuning
Commit Graph

22 Commits

Author SHA1 Message Date
Greg Landrum
0d0cce3122 Allow installation of Python tests to facilitate testing installations (#1724) 
* first pass at adding an installation option for running the python tests

* only install the run_python_tests script if the tests themselves are installed
 2018-02-05 08:23:49 -05:00
Greg Landrum
95498dcc4c remove some vestigial scripts (#1440) 2017-07-02 10:27:32 +02:00
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