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160 Commits

Author SHA1 Message Date
Bas Vb
be63315ca2 regex 2014-04-16 17:01:35 +02:00
Jip J. Dekker
efacc08a3d Merge branch 'develop' into feature/Wikipedia
Conflicts:
	Fourmi.py
2014-04-16 16:49:03 +02:00
Bas Vb
6f82b117c9 new function to clean up the datapoints 2014-04-16 16:23:33 +02:00
Rob tB
9a78e186bc chemspider parser now grabs data from ExtendedCompoundInfo() of chemspider API (no units) 2014-04-16 16:22:47 +02:00
Bas Vb
74aa446f40 minor edits (comments etc.) 2014-04-16 15:27:36 +02:00
Rob tB
caf7d3df4e fixed ExtendedCompoundInfo url to have csid parameter instead of query 2014-04-16 15:27:10 +02:00
Bas Vb
34c3a8b4d6 remove empty data points 2014-04-16 15:22:47 +02:00
Rob tB
2d314aee6a created stub to parse ExtendedCompoundInfo from ChemSpider MassSpec API 2014-04-16 15:21:33 +02:00
Rob tB
7fc980befe chemspider should now only generate new Requests for wikipedia links from 'expert confirmed' synonyms 2014-04-16 15:02:37 +02:00
Bas Vb
ce3105f3c1 went to a general loop over all values, this way getting all elements from the Wikipedia infobox (except for those with a colspan, because these mess up) 2014-04-16 14:56:32 +02:00
Rob tB
87282fc572 new properties in parse_properties now use dictionary syntax 2014-04-16 14:26:27 +02:00
Rob tB
93a6f098a9 log messages are now DEBUG instead of WARNING 2014-04-16 13:28:59 +02:00
Bas Vb
f1280dd66d get value not list from xpath 2014-04-16 13:23:50 +02:00
Rob tB
c1b5f810cb unused Result properties are now empty string instead of None 2014-04-16 11:53:59 +02:00
Bas Vb
d99548e3b6 Added density, molar entropy and heat capacity 2014-04-16 11:14:02 +02:00
Bas Vb
d778050f36 Able to parse the weblinks to other databases, one example done 2014-04-16 10:37:57 +02:00
Jip J. Dekker
9dcb150356 Merge branch 'develop' into feature/chemspider-parser 2014-04-16 10:24:52 +02:00
Bas Vb
cd1637b0fe Both Boiling point and melting point are now parsed from chemical Wikipedia pages, there's one error about different types of attributes in the Result-items, this needs to be fixed by cleaning up the retrieved data. 2014-04-16 00:50:50 +02:00
Bas Vb
1ca3593ae1 Parse is runnable now. 2014-04-16 00:35:19 +02:00
Jip J. Dekker
61ca2520e3 Added feed export functionality 2014-04-15 19:40:54 +02:00
RTB
8e46762a9e fix: if no experimental data, return predicted acd/labs data instead of None 2014-04-15 18:56:38 +02:00
Jip J. Dekker
ffb3861034 Search for single compound, filename should be lowercase 2014-04-15 18:49:30 +02:00
RTB
ff0eb309da ChemSpider parser now handles the Predicted - ACD/Labs tab for scraping properties 2014-04-14 17:27:02 +02:00
RTB
2ae3ac9c51 added parse_properties to scrape the Experimental Physico-chemical Properties table if it exists 2014-04-14 13:09:14 +02:00
RTB
31a63829f8 chemspider parser now makes new synonym requests with the scraped synonyms 2014-04-14 01:23:15 +02:00
RTB
e95df8eaa3 ignore_list now contains the intended names instead of Result objects 2014-04-14 01:20:24 +02:00
RTB
564dbc3292 added ignore list to new_compound_request for synonyms found by chemspider parser 2014-04-14 00:33:25 +02:00
RTB
b1b969a16c corrected usage of __spider variable 2014-04-14 00:28:47 +02:00
RTB
0ad98905e3 added scraping for wikipedia links in synonym tab 2014-04-13 23:35:25 +02:00
RTB
5565c28a1e moved parsing of synonyms to 'parse_synonyms' function 2014-04-13 23:14:23 +02:00
RTB
859a18c61a added parsing of synonyms 2014-04-12 22:27:28 +02:00
RTB
22fa67735d added parse_searchrequest function 2014-04-12 19:41:36 +02:00
RTB
246463b450 simplified debug output, WARNING label should be temporary 2014-04-12 19:19:56 +02:00
RTB
423cb90a6a Merge branch 'develop' into feature/chemspider-parser 2014-04-12 19:13:02 +02:00
RTB
0e3ef9a792 hardcoded ChemSpider API token into ChemSpider.py 2014-04-08 16:14:47 +02:00
Bas Vb
f9799c30d8 Parse is runnable now. 2014-04-08 14:59:09 +02:00
RTB
a4dc8c8711 corrected Chemspider parser to be a subclass of Parser 2014-04-08 13:10:02 +02:00
RTB
0da286c907 created basic structure of ChemSpider search parser 2014-04-08 12:08:45 +02:00
Jip J. Dekker
e10ac12d04 Merge branch 'develop' into feature/Wikipedia 2014-04-08 11:45:23 +02:00
Jip J. Dekker
da17a149c0 Spider is now able to handle none-request from parsers while handling new
compounds
2014-04-08 11:42:43 +02:00
Jip J. Dekker
4b0c4acf96 Updated the wikipedia parser as an rightful subclass of Parser 2014-04-08 11:40:30 +02:00
Bas Vb
f3807c3018 Fixed the errors, but still not able to run/test the parse() function 2014-04-06 20:28:03 +02:00
Bas Vb
add4a13a4d Trying to make a start with the WikipediaParser, but I can't find out with the Scrapy website (or another way) what the structure of the file should be, and how I can test/run the crawling on a page. 2014-04-06 18:02:09 +02:00
Nout van Deijck
81a93c44bb added author 2014-04-03 12:19:17 +02:00
Bas Vb
60c409da3d New file and branch for the Wikipedia parser 2014-04-03 12:05:06 +02:00
Bas Vb
b4ff4a3c3b New file and branch for the Wikipedia parser 2014-04-03 12:00:27 +02:00
Jip J. Dekker
f6981057df Changed everything to spaces 2014-04-02 14:20:05 +02:00
Jip J. Dekker
7bc160f676 The spider is now able to start using the synonym generator 2014-04-01 21:38:11 +02:00
Jip J. Dekker
683f8c09d4 Quick fix, python errors 2014-04-01 21:12:54 +02:00
Jip J. Dekker
f93dc2d160 Added an structure to get requests for all websites for a new synonym 2014-04-01 21:07:36 +02:00