compound
8 years agoMerge branch 'release/v3.2.0' master oldarch v4.0.0
rautenberg [Thu, 12 Jul 2012 09:11:08 +0000 (11:11 +0200)]
Merge branch 'release/v3.2.0'

8 years agoswitch to opentox-ruby version 4.0.0 release/v3.2.0
rautenberg [Thu, 12 Jul 2012 09:09:08 +0000 (11:09 +0200)]
switch to opentox-ruby version 4.0.0

8 years agoMerge branch 'release/v3.1.0' v3.1.0
rautenberg [Tue, 13 Mar 2012 11:08:42 +0000 (12:08 +0100)]
Merge branch 'release/v3.1.0'

8 years agomake sure load java in headless mode, this caused problems on the opentox validation...
mguetlein [Fri, 28 Oct 2011 09:17:06 +0000 (11:17 +0200)]
make sure load java in headless mode, this caused problems on the opentox validation service when loading images

8 years agoMerge branch 'release/v3.0.1' v3.0.1
mr [Wed, 19 Oct 2011 11:10:43 +0000 (13:10 +0200)]
Merge branch 'release/v3.0.1'

9 years agoMerge branch 'master' into development v3.0.0
mr [Fri, 23 Sep 2011 11:18:28 +0000 (13:18 +0200)]
Merge branch 'master' into development

9 years agorequire opentox gem in ~>3
mr [Fri, 23 Sep 2011 11:18:28 +0000 (13:18 +0200)]
require opentox gem in ~>3

9 years agotypo
mr [Fri, 23 Sep 2011 10:06:09 +0000 (12:06 +0200)]
typo

9 years agotypo in README v2.1.0
mr [Thu, 4 Aug 2011 16:07:08 +0000 (18:07 +0200)]
typo in README

9 years agoMerge branch 'release/v2.1.0'
mr [Thu, 4 Aug 2011 16:03:03 +0000 (18:03 +0200)]
Merge branch 'release/v2.1.0'

9 years agohalts (partially) substituted by OpenTox errors
Christoph Helma [Mon, 6 Jun 2011 16:54:56 +0000 (16:54 +0000)]
halts (partially) substituted by OpenTox errors

9 years agoMerge branch 'release/2.0.0' into development
mr [Mon, 23 May 2011 11:30:23 +0000 (13:30 +0200)]
Merge branch 'release/2.0.0' into development

9 years agoMerge branch 'release/2.0.0' v2.0.0
mr [Mon, 23 May 2011 11:29:57 +0000 (13:29 +0200)]
Merge branch 'release/2.0.0'

9 years agoconfigure new version requested opentox-ruby gem
mr [Mon, 23 May 2011 11:27:17 +0000 (13:27 +0200)]
configure new version requested opentox-ruby gem

9 years agofix: split away html-params from inchi-uri, fix: to png via accept header
mguetlein [Thu, 12 May 2011 10:37:32 +0000 (12:37 +0200)]
fix: split away html-params from inchi-uri, fix: to png via accept header

9 years agoMerge branch 'master' into development
Christoph Helma [Tue, 5 Apr 2011 17:16:42 +0000 (19:16 +0200)]
Merge branch 'master' into development

9 years agoMerge branch 'development' of github.com:opentox/compound into development
root [Wed, 16 Mar 2011 14:03:04 +0000 (14:03 +0000)]
Merge branch 'development' of github.com:opentox/compound into development

9 years agoMerge branch 'master' of github.com:opentox/compound
root [Wed, 16 Mar 2011 14:02:28 +0000 (14:02 +0000)]
Merge branch 'master' of github.com:opentox/compound

9 years agoMerge branch 'hotfix/v1.0.2' into development
root [Wed, 16 Mar 2011 10:41:37 +0000 (10:41 +0000)]
Merge branch 'hotfix/v1.0.2' into development

9 years agoMerge branch 'hotfix/v1.0.2' v1.0.2
root [Wed, 16 Mar 2011 10:41:02 +0000 (10:41 +0000)]
Merge branch 'hotfix/v1.0.2'

9 years agoRendering of disconnected structures with single atoms slightly imporved
root [Wed, 16 Mar 2011 10:40:30 +0000 (10:40 +0000)]
Rendering of disconnected structures with single atoms slightly imporved

9 years agoMerge branch 'release/v1.0.1' into development
Christoph Helma [Fri, 11 Mar 2011 13:28:46 +0000 (14:28 +0100)]
Merge branch 'release/v1.0.1' into development

9 years agoMerge branch 'release/v1.0.1' v1.0.1
Christoph Helma [Fri, 11 Mar 2011 13:27:48 +0000 (14:27 +0100)]
Merge branch 'release/v1.0.1'

9 years agoREADME converted to markdown, .yardopts added
Christoph Helma [Fri, 11 Mar 2011 13:26:38 +0000 (14:26 +0100)]
README converted to markdown, .yardopts added

9 years agoMerge branch 'release/v1.0.0' v1.0.0
Christoph Helma [Thu, 10 Mar 2011 11:05:08 +0000 (12:05 +0100)]
Merge branch 'release/v1.0.0'

9 years agoREADME updated
Christoph Helma [Thu, 10 Mar 2011 10:58:12 +0000 (11:58 +0100)]
README updated

9 years agoMerge branch 'release/v1.0.0' into development
Christoph Helma [Wed, 9 Mar 2011 13:11:50 +0000 (14:11 +0100)]
Merge branch 'release/v1.0.0' into development

9 years agoMerge branch 'release/v1.0.0'
Christoph Helma [Wed, 9 Mar 2011 13:11:39 +0000 (14:11 +0100)]
Merge branch 'release/v1.0.0'

9 years agoversion bumped to 1.0.0
Christoph Helma [Wed, 9 Mar 2011 11:00:09 +0000 (12:00 +0100)]
version bumped to 1.0.0

9 years agodisable sinatra built in error handling to allow new ot error handling
mguetlein [Thu, 20 Jan 2011 10:23:41 +0000 (11:23 +0100)]
disable sinatra built in error handling to allow new ot error handling

9 years agoopentox-ruby gem in config.ru
Christoph Helma [Wed, 24 Nov 2010 13:43:20 +0000 (14:43 +0100)]
opentox-ruby gem in config.ru

9 years agoopentox-ruby-api-wrapper renamed to opentox-ruby
Christoph Helma [Wed, 24 Nov 2010 12:10:52 +0000 (13:10 +0100)]
opentox-ruby-api-wrapper renamed to opentox-ruby

9 years agolazar predictions and toxcreate are working
Christoph Helma [Fri, 19 Nov 2010 13:42:29 +0000 (14:42 +0100)]
lazar predictions and toxcreate are working

9 years agoFormat conversion functions adapted to new wrapper version
Christoph Helma [Wed, 10 Nov 2010 16:41:56 +0000 (17:41 +0100)]
Format conversion functions adapted to new wrapper version

9 years agoyardoc documantation added an obsolete methods removed
Christoph Helma [Wed, 10 Nov 2010 14:40:09 +0000 (15:40 +0100)]
yardoc documantation added an obsolete methods removed

9 years agonew API with support for external services (initial version)
Christoph Helma [Fri, 22 Oct 2010 14:38:10 +0000 (16:38 +0200)]
new API with support for external services (initial version)

10 years agoopentox-api-wrapper bumped to 1.6.6
Christoph Helma [Wed, 25 Aug 2010 12:49:33 +0000 (14:49 +0200)]
opentox-api-wrapper bumped to 1.6.6

10 years agoopentox-api-wrapper bumped to 1.6.5
Christoph Helma [Wed, 25 Aug 2010 10:56:04 +0000 (12:56 +0200)]
opentox-api-wrapper bumped to 1.6.5

10 years agoapi wrapper bumped to 1.6.4
Christoph Helma [Wed, 25 Aug 2010 10:30:26 +0000 (12:30 +0200)]
api wrapper bumped to 1.6.4

10 years agoopentox-api-wrapper bumped to 1.6.3
Christoph Helma [Wed, 18 Aug 2010 17:52:09 +0000 (19:52 +0200)]
opentox-api-wrapper bumped to 1.6.3

10 years agoStructure.class added to avoid compilation
Christoph Helma [Wed, 11 Aug 2010 13:08:50 +0000 (15:08 +0200)]
Structure.class added to avoid compilation

10 years agoopentox-api-wrapper bumped to 1.6.2
Christoph Helma [Mon, 9 Aug 2010 15:47:58 +0000 (17:47 +0200)]
opentox-api-wrapper bumped to 1.6.2

10 years agoopentox-api-wrapper bumped to 1.6.1
Christoph Helma [Mon, 9 Aug 2010 08:03:11 +0000 (10:03 +0200)]
opentox-api-wrapper bumped to 1.6.1

10 years agojava libs moved from public to root
Christoph Helma [Fri, 6 Aug 2010 11:32:35 +0000 (13:32 +0200)]
java libs moved from public to root

10 years agomoved to java dir in application root
Christoph Helma [Tue, 27 Jul 2010 09:06:20 +0000 (11:06 +0200)]
moved to java dir in application root

10 years agocode cleanup
Christoph Helma [Fri, 23 Jul 2010 12:21:57 +0000 (14:21 +0200)]
code cleanup

10 years agocode cleanup
Christoph Helma [Thu, 22 Jul 2010 16:39:17 +0000 (18:39 +0200)]
code cleanup

10 years agomatching of fragemnt sets implemented
Christoph Helma [Thu, 22 Jul 2010 16:20:05 +0000 (18:20 +0200)]
matching of fragemnt sets implemented

10 years agoCONFIG reverted to @@config
Christoph Helma [Thu, 22 Jul 2010 15:12:51 +0000 (17:12 +0200)]
CONFIG reverted to @@config

10 years agorjb temporarily excluded
ch [Mon, 19 Jul 2010 14:17:28 +0000 (16:17 +0200)]
rjb temporarily excluded

10 years agoopentox-api-wrapper bumped to 1.6.0
Christoph Helma [Mon, 19 Jul 2010 10:20:37 +0000 (12:20 +0200)]
opentox-api-wrapper bumped to 1.6.0

10 years agoinitial cdk structure visualizer added
Christoph Helma [Mon, 19 Jul 2010 09:39:07 +0000 (11:39 +0200)]
initial cdk structure visualizer added

10 years agomodel creation working, validation report generation fails for large datasets
Christoph Helma [Wed, 14 Jul 2010 11:56:50 +0000 (13:56 +0200)]
model creation working, validation report generation fails for large datasets

10 years agoapi wrapper updated to 1.5.7
Christoph Helma [Tue, 29 Jun 2010 08:31:39 +0000 (10:31 +0200)]
api wrapper updated to 1.5.7

10 years agoMerge branch 'master' of git@github.com:helma/opentox-compound
Christoph Helma [Wed, 16 Jun 2010 10:39:48 +0000 (12:39 +0200)]
Merge branch 'master' of git@github.com:helma/opentox-compound

10 years agoupdated for new datamapper release
Christoph Helma [Tue, 15 Jun 2010 15:17:51 +0000 (17:17 +0200)]
updated for new datamapper release

10 years agorobots.txt added
ch [Sun, 30 May 2010 09:49:35 +0000 (11:49 +0200)]
robots.txt added

10 years agomerge conflicts resolved
Christoph Helma [Tue, 25 May 2010 17:19:25 +0000 (19:19 +0200)]
merge conflicts resolved

10 years ago-am
ch [Fri, 21 May 2010 20:24:57 +0000 (22:24 +0200)]
-am

10 years agoMerge branch 'development' into test
Christoph Helma [Fri, 21 May 2010 17:11:23 +0000 (19:11 +0200)]
Merge branch 'development' into test

10 years agoopentox-api-wrapper bumped to 1.5.5
Christoph Helma [Fri, 21 May 2010 16:57:53 +0000 (18:57 +0200)]
opentox-api-wrapper bumped to 1.5.5

10 years agoopentox-api-wrapper bumped to
Christoph Helma [Fri, 21 May 2010 16:48:47 +0000 (18:48 +0200)]
opentox-api-wrapper bumped to

10 years agoopentox-api-wrapper bumped to 1.5.5
Christoph Helma [Fri, 21 May 2010 16:46:23 +0000 (18:46 +0200)]
opentox-api-wrapper bumped to 1.5.5

10 years agoMerge branch 'development' into test
Christoph Helma [Fri, 21 May 2010 14:57:10 +0000 (16:57 +0200)]
Merge branch 'development' into test

10 years agoopentox-api-wrapper bumped to 1.5.4
Christoph Helma [Fri, 21 May 2010 14:47:50 +0000 (16:47 +0200)]
opentox-api-wrapper bumped to 1.5.4

10 years agoREADMEs updated
Christoph Helma [Fri, 21 May 2010 13:58:31 +0000 (15:58 +0200)]
READMEs updated

10 years agoopentox-ruby-api-wrapper bumped to 1.5.3
Christoph Helma [Fri, 21 May 2010 10:42:08 +0000 (12:42 +0200)]
opentox-ruby-api-wrapper bumped to 1.5.3

10 years agoopentox-ruby-api-wrapper bumped to 1.5.2
Christoph Helma [Thu, 20 May 2010 08:33:31 +0000 (10:33 +0200)]
opentox-ruby-api-wrapper bumped to 1.5.2

10 years agoapi-wrapper version 1.5.1
Christoph Helma [Tue, 18 May 2010 09:52:26 +0000 (11:52 +0200)]
api-wrapper version 1.5.1

10 years agoopentox-api-wrapper version updated
ch [Wed, 12 May 2010 12:12:23 +0000 (14:12 +0200)]
opentox-api-wrapper version updated

10 years agoemk-sinatra-url-for reintroduced (not available on gemcutter)
Christoph Helma [Wed, 12 May 2010 11:09:17 +0000 (13:09 +0200)]
emk-sinatra-url-for reintroduced (not available on gemcutter)

10 years agogithub gems removed
Christoph Helma [Wed, 12 May 2010 10:38:09 +0000 (12:38 +0200)]
github gems removed

10 years agoModification for new RestClient: body instead of to_s
Christoph Helma [Wed, 12 May 2010 10:31:39 +0000 (12:31 +0200)]
Modification for new RestClient: body instead of to_s

10 years agoopentox-api-wrapper version bumped to 1.4.0
Christoph Helma [Thu, 18 Mar 2010 20:03:38 +0000 (21:03 +0100)]
opentox-api-wrapper version bumped to 1.4.0

10 years agotests for yaml representation working
Christoph Helma [Mon, 15 Mar 2010 08:13:33 +0000 (09:13 +0100)]
tests for yaml representation working

10 years agonewline added to end of uri-lists
Christoph Helma [Wed, 10 Mar 2010 11:00:48 +0000 (12:00 +0100)]
newline added to end of uri-lists

10 years agoversion bumped to 1.3.1
Christoph Helma [Tue, 2 Mar 2010 10:18:37 +0000 (11:18 +0100)]
version bumped to 1.3.1

10 years agowrapper version bumped to 1.3.0
Christoph Helma [Mon, 1 Mar 2010 09:21:43 +0000 (10:21 +0100)]
wrapper version bumped to 1.3.0

10 years agomime types added to response header
Christoph Helma [Fri, 19 Feb 2010 13:31:40 +0000 (14:31 +0100)]
mime types added to response header

10 years agoMerge branch 'test' of git@github.com:helma/opentox-compound into test
Christoph Helma [Mon, 8 Feb 2010 16:56:55 +0000 (17:56 +0100)]
Merge branch 'test' of git@github.com:helma/opentox-compound into test

10 years agocentralized database configuration
Christoph Helma [Tue, 2 Feb 2010 16:00:49 +0000 (17:00 +0100)]
centralized database configuration

10 years agoAccept:image/gif delivers image instead of uri
Christoph Helma [Mon, 1 Feb 2010 15:16:21 +0000 (16:16 +0100)]
Accept:image/gif delivers image instead of uri

10 years agoopentox-ruby-api-wrapper version 1.2.6 required
Christoph Helma [Sun, 31 Jan 2010 18:24:07 +0000 (19:24 +0100)]
opentox-ruby-api-wrapper version 1.2.6 required

10 years agocentral config.ru, logger instead of puts
Christoph Helma [Fri, 22 Jan 2010 12:15:47 +0000 (13:15 +0100)]
central config.ru, logger instead of puts

10 years agotasks added
Christoph Helma [Sat, 9 Jan 2010 17:24:33 +0000 (18:24 +0100)]
tasks added

10 years agoaccept header instead of content-type for names request
Christoph Helma [Sat, 19 Dec 2009 12:32:00 +0000 (13:32 +0100)]
accept header instead of content-type for names request

10 years agomerge conflict ressolved
Christoph Helma [Tue, 15 Dec 2009 12:02:49 +0000 (13:02 +0100)]
merge conflict ressolved

10 years agoexplicit versioning of opento-ruby-api-wrapper
Christoph Helma [Tue, 15 Dec 2009 11:56:17 +0000 (12:56 +0100)]
explicit versioning of opento-ruby-api-wrapper

10 years agoInChI creation with sub URIs fixed
Christoph Helma [Tue, 15 Dec 2009 11:19:38 +0000 (12:19 +0100)]
InChI creation with sub URIs fixed

10 years agoInitial adaptation for RDF/OWL
Christoph Helma [Mon, 14 Dec 2009 08:53:02 +0000 (09:53 +0100)]
Initial adaptation for RDF/OWL

10 years agonames retrieval fixed, examples for README
Christoph Helma [Mon, 30 Nov 2009 15:54:09 +0000 (16:54 +0100)]
names retrieval fixed, examples for README

10 years agoAccept header parsing fixed, sinatra/respond_to removed
Christoph Helma [Mon, 30 Nov 2009 15:27:28 +0000 (16:27 +0100)]
Accept header parsing fixed, sinatra/respond_to removed

10 years agomodified for OpenTox API1.1
Christoph Helma [Mon, 23 Nov 2009 17:11:41 +0000 (18:11 +0100)]
modified for OpenTox API1.1

10 years agoautomated creation of public dir
Christoph Helma [Wed, 18 Nov 2009 18:02:10 +0000 (19:02 +0100)]
automated creation of public dir

10 years agoREADME updated
Christoph Helma [Mon, 16 Nov 2009 17:21:02 +0000 (18:21 +0100)]
README updated

10 years agoopenbabel namespace for rake tasks
Christoph Helma [Fri, 30 Oct 2009 12:50:11 +0000 (13:50 +0100)]
openbabel namespace for rake tasks

10 years agoPasses tests in opentox-test
Christoph Helma [Tue, 6 Oct 2009 07:52:59 +0000 (09:52 +0200)]
Passes tests in opentox-test

11 years agomodified smiles escaping, uid supported
Christoph Helma [Tue, 25 Aug 2009 18:52:16 +0000 (20:52 +0200)]
modified smiles escaping, uid supported

11 years agolog file added to .gitignore
Christoph Helma [Mon, 17 Aug 2009 13:15:57 +0000 (15:15 +0200)]
log file added to .gitignore

11 years agoproduction logging enabled
Christoph Helma [Mon, 17 Aug 2009 09:07:58 +0000 (11:07 +0200)]
production logging enabled