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											2016-09-13 00:53:53 +02:00
										 |  |  | """
 | 
					
						
							|  |  |  |  PDBe (Protein Data Bank in Europe) | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  |  @website       https://www.ebi.ac.uk/pdbe | 
					
						
							|  |  |  |  @provide-api   yes (https://www.ebi.ac.uk/pdbe/api/doc/search.html), | 
					
						
							|  |  |  |                 unlimited | 
					
						
							|  |  |  |  @using-api     yes | 
					
						
							|  |  |  |  @results       python dictionary (from json) | 
					
						
							|  |  |  |  @stable        yes | 
					
						
							|  |  |  |  @parse         url, title, content, img_src | 
					
						
							|  |  |  | """
 | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | from json import loads | 
					
						
							|  |  |  | from flask_babel import gettext | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | categories = ['science'] | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | hide_obsolete = False | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | # status codes of unpublished entries | 
					
						
							|  |  |  | pdb_unpublished_codes = ['HPUB', 'HOLD', 'PROC', 'WAIT', 'AUTH', 'AUCO', 'REPL', 'POLC', 'REFI', 'TRSF', 'WDRN'] | 
					
						
							|  |  |  | # url for api query | 
					
						
							|  |  |  | pdbe_solr_url = 'https://www.ebi.ac.uk/pdbe/search/pdb/select?' | 
					
						
							|  |  |  | # base url for results | 
					
						
							|  |  |  | pdbe_entry_url = 'https://www.ebi.ac.uk/pdbe/entry/pdb/{pdb_id}' | 
					
						
							|  |  |  | # link to preview image of structure | 
					
						
							|  |  |  | pdbe_preview_url = 'https://www.ebi.ac.uk/pdbe/static/entry/{pdb_id}_deposited_chain_front_image-200x200.png' | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | def request(query, params): | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  |     params['url'] = pdbe_solr_url | 
					
						
							|  |  |  |     params['method'] = 'POST' | 
					
						
							|  |  |  |     params['data'] = { | 
					
						
							|  |  |  |         'q': query, | 
					
						
							|  |  |  |         'wt': "json"  # request response in parsable format | 
					
						
							|  |  |  |     } | 
					
						
							|  |  |  |     return params | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | def construct_body(result): | 
					
						
							|  |  |  |     # set title | 
					
						
							|  |  |  |     title = result['title'] | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  |     # construct content body | 
					
						
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										 |  |  |     content = """{title} - {authors} {journal} ({volume}) {page} ({year})""" | 
					
						
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										 |  |  | 
 | 
					
						
							|  |  |  |     # replace placeholders with actual content | 
					
						
							|  |  |  |     try: | 
					
						
							|  |  |  |         if result['journal']: | 
					
						
							|  |  |  |             content = content.format( | 
					
						
							|  |  |  |                 title=result['citation_title'], | 
					
						
							|  |  |  |                 authors=result['entry_author_list'][0], journal=result['journal'], volume=result['journal_volume'], | 
					
						
							|  |  |  |                 page=result['journal_page'], year=result['citation_year']) | 
					
						
							|  |  |  |         else: | 
					
						
							|  |  |  |             content = content.format( | 
					
						
							|  |  |  |                 title=result['citation_title'], | 
					
						
							|  |  |  |                 authors=result['entry_author_list'][0], journal='', volume='', page='', year=result['release_year']) | 
					
						
							|  |  |  |         img_src = pdbe_preview_url.format(pdb_id=result['pdb_id']) | 
					
						
							|  |  |  |     except (KeyError): | 
					
						
							|  |  |  |         content = None | 
					
						
							|  |  |  |         img_src = None | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  |     # construct url for preview image | 
					
						
							|  |  |  |     try: | 
					
						
							|  |  |  |         img_src = pdbe_preview_url.format(pdb_id=result['pdb_id']) | 
					
						
							|  |  |  |     except (KeyError): | 
					
						
							|  |  |  |         img_src = None | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  |     return [title, content, img_src] | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  | def response(resp): | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  |     results = [] | 
					
						
							|  |  |  |     json = loads(resp.text)['response']['docs'] | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  |     # parse results | 
					
						
							|  |  |  |     for result in json: | 
					
						
							|  |  |  |         # catch obsolete entries and mark them accordingly | 
					
						
							|  |  |  |         if result['status'] in pdb_unpublished_codes: | 
					
						
							|  |  |  |             continue | 
					
						
							|  |  |  |         if hide_obsolete: | 
					
						
							|  |  |  |             continue | 
					
						
							|  |  |  |         if result['status'] == 'OBS': | 
					
						
							|  |  |  |             # expand title to add some sort of warning message | 
					
						
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										 |  |  |             title = gettext('{title} (OBSOLETE)').format(title=result['title']) | 
					
						
							|  |  |  |             try: | 
					
						
							|  |  |  |                 superseded_url = pdbe_entry_url.format(pdb_id=result['superseded_by']) | 
					
						
							|  |  |  |             except: | 
					
						
							|  |  |  |                 continue | 
					
						
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										 |  |  | 
 | 
					
						
							|  |  |  |             # since we can't construct a proper body from the response, we'll make up our own | 
					
						
							|  |  |  |             msg_superseded = gettext("This entry has been superseded by") | 
					
						
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										 |  |  |             content = '{msg_superseded}: {url} ({pdb_id})'.format( | 
					
						
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										 |  |  |                 msg_superseded=msg_superseded, | 
					
						
							|  |  |  |                 url=superseded_url, | 
					
						
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										 |  |  |                 pdb_id=result['superseded_by']) | 
					
						
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										 |  |  | 
 | 
					
						
							|  |  |  |             # obsoleted entries don't have preview images | 
					
						
							|  |  |  |             img_src = None | 
					
						
							|  |  |  |         else: | 
					
						
							|  |  |  |             title, content, img_src = construct_body(result) | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  |         results.append({ | 
					
						
							|  |  |  |             'url': pdbe_entry_url.format(pdb_id=result['pdb_id']), | 
					
						
							|  |  |  |             'title': title, | 
					
						
							|  |  |  |             'content': content, | 
					
						
							|  |  |  |             'img_src': img_src | 
					
						
							|  |  |  |         }) | 
					
						
							|  |  |  | 
 | 
					
						
							|  |  |  |     return results |