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										 |  |  | # SPDX-License-Identifier: AGPL-3.0-or-later | 
					
						
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										 |  |  | """
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							|  |  |  |  PDBe (Protein Data Bank in Europe) | 
					
						
							|  |  |  | """
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							|  |  |  | from json import loads | 
					
						
							|  |  |  | from flask_babel import gettext | 
					
						
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										 |  |  | # about | 
					
						
							|  |  |  | about = { | 
					
						
							|  |  |  |     "website": 'https://www.ebi.ac.uk/pdbe', | 
					
						
							|  |  |  |     "wikidata_id": 'Q55823905', | 
					
						
							|  |  |  |     "official_api_documentation": 'https://www.ebi.ac.uk/pdbe/api/doc/search.html', | 
					
						
							|  |  |  |     "use_official_api": True, | 
					
						
							|  |  |  |     "require_api_key": False, | 
					
						
							|  |  |  |     "results": 'JSON', | 
					
						
							|  |  |  | } | 
					
						
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										 |  |  | categories = ['science'] | 
					
						
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							|  |  |  | hide_obsolete = False | 
					
						
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							|  |  |  | # status codes of unpublished entries | 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' | 
					
						
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							|  |  |  | def request(query, params): | 
					
						
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							|  |  |  |     params['url'] = pdbe_solr_url | 
					
						
							|  |  |  |     params['method'] = 'POST' | 
					
						
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										 |  |  |     params['data'] = {'q': query, 'wt': "json"}  # request response in parsable format | 
					
						
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										 |  |  |     return params | 
					
						
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							|  |  |  | def construct_body(result): | 
					
						
							|  |  |  |     # set title | 
					
						
							|  |  |  |     title = result['title'] | 
					
						
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 | 
					
						
							|  |  |  |     # 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'], | 
					
						
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										 |  |  |                 authors=result['entry_author_list'][0], | 
					
						
							|  |  |  |                 journal=result['journal'], | 
					
						
							|  |  |  |                 volume=result['journal_volume'], | 
					
						
							|  |  |  |                 page=result['journal_page'], | 
					
						
							|  |  |  |                 year=result['citation_year'], | 
					
						
							|  |  |  |             ) | 
					
						
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										 |  |  |         else: | 
					
						
							|  |  |  |             content = content.format( | 
					
						
							|  |  |  |                 title=result['citation_title'], | 
					
						
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										 |  |  |                 authors=result['entry_author_list'][0], | 
					
						
							|  |  |  |                 journal='', | 
					
						
							|  |  |  |                 volume='', | 
					
						
							|  |  |  |                 page='', | 
					
						
							|  |  |  |                 year=result['release_year'], | 
					
						
							|  |  |  |             ) | 
					
						
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										 |  |  |         img_src = pdbe_preview_url.format(pdb_id=result['pdb_id']) | 
					
						
							|  |  |  |     except (KeyError): | 
					
						
							|  |  |  |         content = None | 
					
						
							|  |  |  |         img_src = None | 
					
						
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							|  |  |  |     # construct url for preview image | 
					
						
							|  |  |  |     try: | 
					
						
							|  |  |  |         img_src = pdbe_preview_url.format(pdb_id=result['pdb_id']) | 
					
						
							|  |  |  |     except (KeyError): | 
					
						
							|  |  |  |         img_src = None | 
					
						
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							|  |  |  |     return [title, content, img_src] | 
					
						
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							|  |  |  | def response(resp): | 
					
						
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							|  |  |  |     results = [] | 
					
						
							|  |  |  |     json = loads(resp.text)['response']['docs'] | 
					
						
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							|  |  |  |     # 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, pdb_id=result['superseded_by'] | 
					
						
							|  |  |  |             ) | 
					
						
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										 |  |  | 
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							|  |  |  |             # obsoleted entries don't have preview images | 
					
						
							|  |  |  |             img_src = None | 
					
						
							|  |  |  |         else: | 
					
						
							|  |  |  |             title, content, img_src = construct_body(result) | 
					
						
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										 |  |  |         results.append( | 
					
						
							|  |  |  |             { | 
					
						
							|  |  |  |                 'url': pdbe_entry_url.format(pdb_id=result['pdb_id']), | 
					
						
							|  |  |  |                 'title': title, | 
					
						
							|  |  |  |                 'content': content, | 
					
						
							|  |  |  |                 'img_src': img_src, | 
					
						
							|  |  |  |             } | 
					
						
							|  |  |  |         ) | 
					
						
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										 |  |  | 
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							|  |  |  |     return results |