pdbe.py 3.7 KB

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  1. # SPDX-License-Identifier: AGPL-3.0-or-later
  2. """
  3. PDBe (Protein Data Bank in Europe)
  4. """
  5. from json import loads
  6. from flask_babel import gettext
  7. # about
  8. about = {
  9. "website": 'https://www.ebi.ac.uk/pdbe',
  10. "wikidata_id": 'Q55823905',
  11. "official_api_documentation": 'https://www.ebi.ac.uk/pdbe/api/doc/search.html',
  12. "use_official_api": True,
  13. "require_api_key": False,
  14. "results": 'JSON',
  15. }
  16. categories = ['science']
  17. hide_obsolete = False
  18. # status codes of unpublished entries
  19. pdb_unpublished_codes = ['HPUB', 'HOLD', 'PROC', 'WAIT', 'AUTH', 'AUCO', 'REPL', 'POLC', 'REFI', 'TRSF', 'WDRN']
  20. # url for api query
  21. pdbe_solr_url = 'https://www.ebi.ac.uk/pdbe/search/pdb/select?'
  22. # base url for results
  23. pdbe_entry_url = 'https://www.ebi.ac.uk/pdbe/entry/pdb/{pdb_id}'
  24. # link to preview image of structure
  25. pdbe_preview_url = 'https://www.ebi.ac.uk/pdbe/static/entry/{pdb_id}_deposited_chain_front_image-200x200.png'
  26. def request(query, params):
  27. params['url'] = pdbe_solr_url
  28. params['method'] = 'POST'
  29. params['data'] = {'q': query, 'wt': "json"} # request response in parsable format
  30. return params
  31. def construct_body(result):
  32. # set title
  33. title = result['title']
  34. # construct content body
  35. content = """{title} - {authors} {journal} ({volume}) {page} ({year})"""
  36. # replace placeholders with actual content
  37. try:
  38. if result['journal']:
  39. content = content.format(
  40. title=result['citation_title'],
  41. authors=result['entry_author_list'][0],
  42. journal=result['journal'],
  43. volume=result['journal_volume'],
  44. page=result['journal_page'],
  45. year=result['citation_year'],
  46. )
  47. else:
  48. content = content.format(
  49. title=result['citation_title'],
  50. authors=result['entry_author_list'][0],
  51. journal='',
  52. volume='',
  53. page='',
  54. year=result['release_year'],
  55. )
  56. thumbnail = pdbe_preview_url.format(pdb_id=result['pdb_id'])
  57. except KeyError:
  58. content = None
  59. thumbnail = None
  60. # construct url for preview image
  61. try:
  62. thumbnail = pdbe_preview_url.format(pdb_id=result['pdb_id'])
  63. except KeyError:
  64. thumbnail = None
  65. return [title, content, thumbnail]
  66. def response(resp):
  67. results = []
  68. json = loads(resp.text)['response']['docs']
  69. # parse results
  70. for result in json:
  71. # catch obsolete entries and mark them accordingly
  72. if result['status'] in pdb_unpublished_codes:
  73. continue
  74. if hide_obsolete:
  75. continue
  76. if result['status'] == 'OBS':
  77. # expand title to add some sort of warning message
  78. title = gettext('{title} (OBSOLETE)').format(title=result['title'])
  79. try:
  80. superseded_url = pdbe_entry_url.format(pdb_id=result['superseded_by'])
  81. except: # pylint: disable=bare-except
  82. continue
  83. # since we can't construct a proper body from the response, we'll make up our own
  84. msg_superseded = gettext("This entry has been superseded by")
  85. content = '{msg_superseded}: {url} ({pdb_id})'.format(
  86. msg_superseded=msg_superseded, url=superseded_url, pdb_id=result['superseded_by']
  87. )
  88. # obsoleted entries don't have preview images
  89. thumbnail = None
  90. else:
  91. title, content, thumbnail = construct_body(result)
  92. results.append(
  93. {
  94. 'url': pdbe_entry_url.format(pdb_id=result['pdb_id']),
  95. 'title': title,
  96. 'content': content,
  97. 'thumbnail': thumbnail,
  98. }
  99. )
  100. return results