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								# status codes of unpublished entries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