Class: Cheminee::DefaultApi

Inherits:
Object
  • Object
show all
Defined in:
lib/cheminee/api/default_api.rb

Instance Attribute Summary collapse

Instance Method Summary collapse

Constructor Details

#initialize(api_client = ApiClient.default) ⇒ DefaultApi

Returns a new instance of DefaultApi.



19
20
21
 
# File 'lib/cheminee/api/default_api.rb', line 19

def initialize(api_client = ApiClient.default)
  @api_client = api_client
end

Instance Attribute Details

#api_client ⇒ Object

Returns the value of attribute api_client.



17
18
19
 
# File 'lib/cheminee/api/default_api.rb', line 17

def api_client
  @api_client
end

Instance Method Details

#v1_convert_mol_block_to_smiles_post(sanitize, mol_block, opts = {}) ⇒ Array<ConvertedSmiles>

Convert a list of SMILES to molblocks

Parameters:

  • sanitize (String)
  • mol_block (Array<MolBlock>)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:



27
28
29
30
 
# File 'lib/cheminee/api/default_api.rb', line 27

def v1_convert_mol_block_to_smiles_post(sanitize, mol_block, opts = {})
  data, _status_code, _headers = v1_convert_mol_block_to_smiles_post_with_http_info(sanitize, mol_block, opts)
  data
end

#v1_convert_mol_block_to_smiles_post_with_http_info(sanitize, mol_block, opts = {}) ⇒ Array<(Array<ConvertedSmiles>, Integer, Hash)>

Convert a list of SMILES to molblocks

Parameters:

  • sanitize (String)
  • mol_block (Array<MolBlock>)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:

  • (Array<(Array<ConvertedSmiles>, Integer, Hash)>) —

    Array<ConvertedSmiles> data, response status code and response headers



37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
 
# File 'lib/cheminee/api/default_api.rb', line 37

def v1_convert_mol_block_to_smiles_post_with_http_info(sanitize, mol_block, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_convert_mol_block_to_smiles_post ...'
  end
  # verify the required parameter 'sanitize' is set
  if @api_client.config.client_side_validation && sanitize.nil?
    fail ArgumentError, "Missing the required parameter 'sanitize' when calling DefaultApi.v1_convert_mol_block_to_smiles_post"
  end
  # verify the required parameter 'mol_block' is set
  if @api_client.config.client_side_validation && mol_block.nil?
    fail ArgumentError, "Missing the required parameter 'mol_block' when calling DefaultApi.v1_convert_mol_block_to_smiles_post"
  end
  # resource path
  local_var_path = '/v1/convert/mol_block_to_smiles'

  # query parameters
  query_params = opts[:query_params] || {}
  query_params[:'sanitize'] = sanitize

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']
  # HTTP header 'Content-Type'
  content_type = @api_client.select_header_content_type(['application/json; charset=utf-8'])
  if !content_type.nil?
      header_params['Content-Type'] = content_type
  end

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body] || @api_client.object_to_http_body(mol_block)

  # return_type
  return_type = opts[:debug_return_type] || 'Array<ConvertedSmiles>'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_convert_mol_block_to_smiles_post",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:POST, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_convert_mol_block_to_smiles_post\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_convert_smiles_to_mol_block_post(smiles, opts = {}) ⇒ Array<ConvertedMolBlock>

Convert a list of molblocks to SMILES

Parameters:

  • smiles (Array<Smiles>)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:



99
100
101
102
 
# File 'lib/cheminee/api/default_api.rb', line 99

def v1_convert_smiles_to_mol_block_post(smiles, opts = {})
  data, _status_code, _headers = v1_convert_smiles_to_mol_block_post_with_http_info(smiles, opts)
  data
end

#v1_convert_smiles_to_mol_block_post_with_http_info(smiles, opts = {}) ⇒ Array<(Array<ConvertedMolBlock>, Integer, Hash)>

Convert a list of molblocks to SMILES

Parameters:

  • smiles (Array<Smiles>)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:

  • (Array<(Array<ConvertedMolBlock>, Integer, Hash)>) —

    Array<ConvertedMolBlock> data, response status code and response headers



108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
 
# File 'lib/cheminee/api/default_api.rb', line 108

def v1_convert_smiles_to_mol_block_post_with_http_info(smiles, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_convert_smiles_to_mol_block_post ...'
  end
  # verify the required parameter 'smiles' is set
  if @api_client.config.client_side_validation && smiles.nil?
    fail ArgumentError, "Missing the required parameter 'smiles' when calling DefaultApi.v1_convert_smiles_to_mol_block_post"
  end
  # resource path
  local_var_path = '/v1/convert/smiles_to_mol_block'

  # query parameters
  query_params = opts[:query_params] || {}

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']
  # HTTP header 'Content-Type'
  content_type = @api_client.select_header_content_type(['application/json; charset=utf-8'])
  if !content_type.nil?
      header_params['Content-Type'] = content_type
  end

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body] || @api_client.object_to_http_body(smiles)

  # return_type
  return_type = opts[:debug_return_type] || 'Array<ConvertedMolBlock>'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_convert_smiles_to_mol_block_post",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:POST, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_convert_smiles_to_mol_block_post\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_get(opts = {}) ⇒ Array<IndexMeta>

List indexes

Parameters:

  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:



164
165
166
167
 
# File 'lib/cheminee/api/default_api.rb', line 164

def v1_indexes_get(opts = {})
  data, _status_code, _headers = v1_indexes_get_with_http_info(opts)
  data
end

#v1_indexes_get_with_http_info(opts = {}) ⇒ Array<(Array<IndexMeta>, Integer, Hash)>

List indexes

Parameters:

  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:

  • (Array<(Array<IndexMeta>, Integer, Hash)>) —

    Array<IndexMeta> data, response status code and response headers



172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
 
# File 'lib/cheminee/api/default_api.rb', line 172

def v1_indexes_get_with_http_info(opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_get ...'
  end
  # resource path
  local_var_path = '/v1/indexes'

  # query parameters
  query_params = opts[:query_params] || {}

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body]

  # return_type
  return_type = opts[:debug_return_type] || 'Array<IndexMeta>'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_get",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_index_bulk_delete_delete(index, bulk_request, opts = {}) ⇒ DeleteIndexBulkResponseOk

Delete a list of smiles (after standardization) from an index

Parameters:

  • index (String)
  • bulk_request (BulkRequest)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:



221
222
223
224
 
# File 'lib/cheminee/api/default_api.rb', line 221

def v1_indexes_index_bulk_delete_delete(index, bulk_request, opts = {})
  data, _status_code, _headers = v1_indexes_index_bulk_delete_delete_with_http_info(index, bulk_request, opts)
  data
end

#v1_indexes_index_bulk_delete_delete_with_http_info(index, bulk_request, opts = {}) ⇒ Array<(DeleteIndexBulkResponseOk, Integer, Hash)>

Delete a list of smiles (after standardization) from an index

Parameters:

  • index (String)
  • bulk_request (BulkRequest)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:

  • (Array<(DeleteIndexBulkResponseOk, Integer, Hash)>) —

    DeleteIndexBulkResponseOk data, response status code and response headers



231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
 
# File 'lib/cheminee/api/default_api.rb', line 231

def v1_indexes_index_bulk_delete_delete_with_http_info(index, bulk_request, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_bulk_delete_delete ...'
  end
  # verify the required parameter 'index' is set
  if @api_client.config.client_side_validation && index.nil?
    fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_bulk_delete_delete"
  end
  # verify the required parameter 'bulk_request' is set
  if @api_client.config.client_side_validation && bulk_request.nil?
    fail ArgumentError, "Missing the required parameter 'bulk_request' when calling DefaultApi.v1_indexes_index_bulk_delete_delete"
  end
  # resource path
  local_var_path = '/v1/indexes/{index}/bulk_delete'.sub('{' + 'index' + '}', CGI.escape(index.to_s))

  # query parameters
  query_params = opts[:query_params] || {}

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']
  # HTTP header 'Content-Type'
  content_type = @api_client.select_header_content_type(['application/json; charset=utf-8'])
  if !content_type.nil?
      header_params['Content-Type'] = content_type
  end

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body] || @api_client.object_to_http_body(bulk_request)

  # return_type
  return_type = opts[:debug_return_type] || 'DeleteIndexBulkResponseOk'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_index_bulk_delete_delete",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:DELETE, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_bulk_delete_delete\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_index_bulk_index_post(index, bulk_request, opts = {}) ⇒ PostIndexBulkResponseOk

Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable

Parameters:

  • index (String)
  • bulk_request (BulkRequest)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:



293
294
295
296
 
# File 'lib/cheminee/api/default_api.rb', line 293

def v1_indexes_index_bulk_index_post(index, bulk_request, opts = {})
  data, _status_code, _headers = v1_indexes_index_bulk_index_post_with_http_info(index, bulk_request, opts)
  data
end

#v1_indexes_index_bulk_index_post_with_http_info(index, bulk_request, opts = {}) ⇒ Array<(PostIndexBulkResponseOk, Integer, Hash)>

Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable

Parameters:

  • index (String)
  • bulk_request (BulkRequest)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:

  • (Array<(PostIndexBulkResponseOk, Integer, Hash)>) —

    PostIndexBulkResponseOk data, response status code and response headers



303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
 
# File 'lib/cheminee/api/default_api.rb', line 303

def v1_indexes_index_bulk_index_post_with_http_info(index, bulk_request, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_bulk_index_post ...'
  end
  # verify the required parameter 'index' is set
  if @api_client.config.client_side_validation && index.nil?
    fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_bulk_index_post"
  end
  # verify the required parameter 'bulk_request' is set
  if @api_client.config.client_side_validation && bulk_request.nil?
    fail ArgumentError, "Missing the required parameter 'bulk_request' when calling DefaultApi.v1_indexes_index_bulk_index_post"
  end
  # resource path
  local_var_path = '/v1/indexes/{index}/bulk_index'.sub('{' + 'index' + '}', CGI.escape(index.to_s))

  # query parameters
  query_params = opts[:query_params] || {}

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']
  # HTTP header 'Content-Type'
  content_type = @api_client.select_header_content_type(['application/json; charset=utf-8'])
  if !content_type.nil?
      header_params['Content-Type'] = content_type
  end

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body] || @api_client.object_to_http_body(bulk_request)

  # return_type
  return_type = opts[:debug_return_type] || 'PostIndexBulkResponseOk'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_index_bulk_index_post",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:POST, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_bulk_index_post\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_index_delete(index, opts = {}) ⇒ IndexMeta

Delete an index

Parameters:

  • index (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:



364
365
366
367
 
# File 'lib/cheminee/api/default_api.rb', line 364

def v1_indexes_index_delete(index, opts = {})
  data, _status_code, _headers = v1_indexes_index_delete_with_http_info(index, opts)
  data
end

#v1_indexes_index_delete_with_http_info(index, opts = {}) ⇒ Array<(IndexMeta, Integer, Hash)>

Delete an index

Parameters:

  • index (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:

  • (Array<(IndexMeta, Integer, Hash)>) —

    IndexMeta data, response status code and response headers



373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
 
# File 'lib/cheminee/api/default_api.rb', line 373

def v1_indexes_index_delete_with_http_info(index, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_delete ...'
  end
  # verify the required parameter 'index' is set
  if @api_client.config.client_side_validation && index.nil?
    fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_delete"
  end
  # resource path
  local_var_path = '/v1/indexes/{index}'.sub('{' + 'index' + '}', CGI.escape(index.to_s))

  # query parameters
  query_params = opts[:query_params] || {}

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body]

  # return_type
  return_type = opts[:debug_return_type] || 'IndexMeta'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_index_delete",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:DELETE, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_delete\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_index_get(index, opts = {}) ⇒ IndexSchema

Get extended information about an index

Parameters:

  • index (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:



425
426
427
428
 
# File 'lib/cheminee/api/default_api.rb', line 425

def v1_indexes_index_get(index, opts = {})
  data, _status_code, _headers = v1_indexes_index_get_with_http_info(index, opts)
  data
end

#v1_indexes_index_get_with_http_info(index, opts = {}) ⇒ Array<(IndexSchema, Integer, Hash)>

Get extended information about an index

Parameters:

  • index (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:

  • (Array<(IndexSchema, Integer, Hash)>) —

    IndexSchema data, response status code and response headers



434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
 
# File 'lib/cheminee/api/default_api.rb', line 434

def v1_indexes_index_get_with_http_info(index, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_get ...'
  end
  # verify the required parameter 'index' is set
  if @api_client.config.client_side_validation && index.nil?
    fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_get"
  end
  # resource path
  local_var_path = '/v1/indexes/{index}'.sub('{' + 'index' + '}', CGI.escape(index.to_s))

  # query parameters
  query_params = opts[:query_params] || {}

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body]

  # return_type
  return_type = opts[:debug_return_type] || 'IndexSchema'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_index_get",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_index_post(index, schema, opts = {}) ⇒ IndexMeta

Create an index

Parameters:

  • index (String)
  • schema (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :sort_by (String)

Returns:



488
489
490
491
 
# File 'lib/cheminee/api/default_api.rb', line 488

def v1_indexes_index_post(index, schema, opts = {})
  data, _status_code, _headers = v1_indexes_index_post_with_http_info(index, schema, opts)
  data
end

#v1_indexes_index_post_with_http_info(index, schema, opts = {}) ⇒ Array<(IndexMeta, Integer, Hash)>

Create an index

Parameters:

  • index (String)
  • schema (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :sort_by (String)

Returns:

  • (Array<(IndexMeta, Integer, Hash)>) —

    IndexMeta data, response status code and response headers



499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
 
# File 'lib/cheminee/api/default_api.rb', line 499

def v1_indexes_index_post_with_http_info(index, schema, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_post ...'
  end
  # verify the required parameter 'index' is set
  if @api_client.config.client_side_validation && index.nil?
    fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_post"
  end
  # verify the required parameter 'schema' is set
  if @api_client.config.client_side_validation && schema.nil?
    fail ArgumentError, "Missing the required parameter 'schema' when calling DefaultApi.v1_indexes_index_post"
  end
  # resource path
  local_var_path = '/v1/indexes/{index}'.sub('{' + 'index' + '}', CGI.escape(index.to_s))

  # query parameters
  query_params = opts[:query_params] || {}
  query_params[:'schema'] = schema
  query_params[:'sort_by'] = opts[:'sort_by'] if !opts[:'sort_by'].nil?

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body]

  # return_type
  return_type = opts[:debug_return_type] || 'IndexMeta'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_index_post",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:POST, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_post\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_index_search_basic_get(index, query, opts = {}) ⇒ Array<QuerySearchHit>

Perform basic query search against index

Parameters:

  • index (String)
  • query (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :limit (Integer)

Returns:



559
560
561
562
 
# File 'lib/cheminee/api/default_api.rb', line 559

def v1_indexes_index_search_basic_get(index, query, opts = {})
  data, _status_code, _headers = v1_indexes_index_search_basic_get_with_http_info(index, query, opts)
  data
end

#v1_indexes_index_search_basic_get_with_http_info(index, query, opts = {}) ⇒ Array<(Array<QuerySearchHit>, Integer, Hash)>

Perform basic query search against index

Parameters:

  • index (String)
  • query (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :limit (Integer)

Returns:

  • (Array<(Array<QuerySearchHit>, Integer, Hash)>) —

    Array<QuerySearchHit> data, response status code and response headers



570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
 
# File 'lib/cheminee/api/default_api.rb', line 570

def v1_indexes_index_search_basic_get_with_http_info(index, query, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_search_basic_get ...'
  end
  # verify the required parameter 'index' is set
  if @api_client.config.client_side_validation && index.nil?
    fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_search_basic_get"
  end
  # verify the required parameter 'query' is set
  if @api_client.config.client_side_validation && query.nil?
    fail ArgumentError, "Missing the required parameter 'query' when calling DefaultApi.v1_indexes_index_search_basic_get"
  end
  # resource path
  local_var_path = '/v1/indexes/{index}/search/basic'.sub('{' + 'index' + '}', CGI.escape(index.to_s))

  # query parameters
  query_params = opts[:query_params] || {}
  query_params[:'query'] = query
  query_params[:'limit'] = opts[:'limit'] if !opts[:'limit'].nil?

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body]

  # return_type
  return_type = opts[:debug_return_type] || 'Array<QuerySearchHit>'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_index_search_basic_get",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_search_basic_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_index_search_identity_get(index, smiles, opts = {}) ⇒ Array<StructureSearchHit>

Perform identity search (i.e. exact match) against index

Parameters:

  • index (String)
  • smiles (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :use_chirality (String)
  • :extra_query (String)
  • :use_scaffolds (String)

Returns:



632
633
634
635
 
# File 'lib/cheminee/api/default_api.rb', line 632

def v1_indexes_index_search_identity_get(index, smiles, opts = {})
  data, _status_code, _headers = v1_indexes_index_search_identity_get_with_http_info(index, smiles, opts)
  data
end

#v1_indexes_index_search_identity_get_with_http_info(index, smiles, opts = {}) ⇒ Array<(Array<StructureSearchHit>, Integer, Hash)>

Perform identity search (i.e. exact match) against index

Parameters:

  • index (String)
  • smiles (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :use_chirality (String)
  • :extra_query (String)
  • :use_scaffolds (String)

Returns:

  • (Array<(Array<StructureSearchHit>, Integer, Hash)>) —

    Array<StructureSearchHit> data, response status code and response headers



645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
 
# File 'lib/cheminee/api/default_api.rb', line 645

def v1_indexes_index_search_identity_get_with_http_info(index, smiles, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_search_identity_get ...'
  end
  # verify the required parameter 'index' is set
  if @api_client.config.client_side_validation && index.nil?
    fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_search_identity_get"
  end
  # verify the required parameter 'smiles' is set
  if @api_client.config.client_side_validation && smiles.nil?
    fail ArgumentError, "Missing the required parameter 'smiles' when calling DefaultApi.v1_indexes_index_search_identity_get"
  end
  # resource path
  local_var_path = '/v1/indexes/{index}/search/identity'.sub('{' + 'index' + '}', CGI.escape(index.to_s))

  # query parameters
  query_params = opts[:query_params] || {}
  query_params[:'smiles'] = smiles
  query_params[:'use_chirality'] = opts[:'use_chirality'] if !opts[:'use_chirality'].nil?
  query_params[:'extra_query'] = opts[:'extra_query'] if !opts[:'extra_query'].nil?
  query_params[:'use_scaffolds'] = opts[:'use_scaffolds'] if !opts[:'use_scaffolds'].nil?

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body]

  # return_type
  return_type = opts[:debug_return_type] || 'Array<StructureSearchHit>'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_index_search_identity_get",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_search_identity_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_index_search_substructure_get(index, smiles, opts = {}) ⇒ Array<StructureSearchHit>

Perform substructure search against index

Parameters:

  • index (String)
  • smiles (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :use_chirality (String)
  • :result_limit (Integer)
  • :tautomer_limit (Integer)
  • :extra_query (String)
  • :use_scaffolds (String)

Returns:



711
712
713
714
 
# File 'lib/cheminee/api/default_api.rb', line 711

def v1_indexes_index_search_substructure_get(index, smiles, opts = {})
  data, _status_code, _headers = v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts)
  data
end

#v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts = {}) ⇒ Array<(Array<StructureSearchHit>, Integer, Hash)>

Perform substructure search against index

Parameters:

  • index (String)
  • smiles (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :use_chirality (String)
  • :result_limit (Integer)
  • :tautomer_limit (Integer)
  • :extra_query (String)
  • :use_scaffolds (String)

Returns:

  • (Array<(Array<StructureSearchHit>, Integer, Hash)>) —

    Array<StructureSearchHit> data, response status code and response headers



726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
 
# File 'lib/cheminee/api/default_api.rb', line 726

def v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_search_substructure_get ...'
  end
  # verify the required parameter 'index' is set
  if @api_client.config.client_side_validation && index.nil?
    fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_search_substructure_get"
  end
  # verify the required parameter 'smiles' is set
  if @api_client.config.client_side_validation && smiles.nil?
    fail ArgumentError, "Missing the required parameter 'smiles' when calling DefaultApi.v1_indexes_index_search_substructure_get"
  end
  # resource path
  local_var_path = '/v1/indexes/{index}/search/substructure'.sub('{' + 'index' + '}', CGI.escape(index.to_s))

  # query parameters
  query_params = opts[:query_params] || {}
  query_params[:'smiles'] = smiles
  query_params[:'use_chirality'] = opts[:'use_chirality'] if !opts[:'use_chirality'].nil?
  query_params[:'result_limit'] = opts[:'result_limit'] if !opts[:'result_limit'].nil?
  query_params[:'tautomer_limit'] = opts[:'tautomer_limit'] if !opts[:'tautomer_limit'].nil?
  query_params[:'extra_query'] = opts[:'extra_query'] if !opts[:'extra_query'].nil?
  query_params[:'use_scaffolds'] = opts[:'use_scaffolds'] if !opts[:'use_scaffolds'].nil?

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body]

  # return_type
  return_type = opts[:debug_return_type] || 'Array<StructureSearchHit>'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_index_search_substructure_get",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_search_substructure_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_indexes_index_search_superstructure_get(index, smiles, opts = {}) ⇒ Array<StructureSearchHit>

Perform superstructure search against index

Parameters:

  • index (String)
  • smiles (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :use_chirality (String)
  • :result_limit (Integer)
  • :tautomer_limit (Integer)
  • :extra_query (String)
  • :use_scaffolds (String)

Returns:



794
795
796
797
 
# File 'lib/cheminee/api/default_api.rb', line 794

def v1_indexes_index_search_superstructure_get(index, smiles, opts = {})
  data, _status_code, _headers = v1_indexes_index_search_superstructure_get_with_http_info(index, smiles, opts)
  data
end

#v1_indexes_index_search_superstructure_get_with_http_info(index, smiles, opts = {}) ⇒ Array<(Array<StructureSearchHit>, Integer, Hash)>

Perform superstructure search against index

Parameters:

  • index (String)
  • smiles (String)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :use_chirality (String)
  • :result_limit (Integer)
  • :tautomer_limit (Integer)
  • :extra_query (String)
  • :use_scaffolds (String)

Returns:

  • (Array<(Array<StructureSearchHit>, Integer, Hash)>) —

    Array<StructureSearchHit> data, response status code and response headers



809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
 
# File 'lib/cheminee/api/default_api.rb', line 809

def v1_indexes_index_search_superstructure_get_with_http_info(index, smiles, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_search_superstructure_get ...'
  end
  # verify the required parameter 'index' is set
  if @api_client.config.client_side_validation && index.nil?
    fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_search_superstructure_get"
  end
  # verify the required parameter 'smiles' is set
  if @api_client.config.client_side_validation && smiles.nil?
    fail ArgumentError, "Missing the required parameter 'smiles' when calling DefaultApi.v1_indexes_index_search_superstructure_get"
  end
  # resource path
  local_var_path = '/v1/indexes/{index}/search/superstructure'.sub('{' + 'index' + '}', CGI.escape(index.to_s))

  # query parameters
  query_params = opts[:query_params] || {}
  query_params[:'smiles'] = smiles
  query_params[:'use_chirality'] = opts[:'use_chirality'] if !opts[:'use_chirality'].nil?
  query_params[:'result_limit'] = opts[:'result_limit'] if !opts[:'result_limit'].nil?
  query_params[:'tautomer_limit'] = opts[:'tautomer_limit'] if !opts[:'tautomer_limit'].nil?
  query_params[:'extra_query'] = opts[:'extra_query'] if !opts[:'extra_query'].nil?
  query_params[:'use_scaffolds'] = opts[:'use_scaffolds'] if !opts[:'use_scaffolds'].nil?

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body]

  # return_type
  return_type = opts[:debug_return_type] || 'Array<StructureSearchHit>'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_indexes_index_search_superstructure_get",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_search_superstructure_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_schemas_get(opts = {}) ⇒ Array<Schema>

List schemas available for creating indexes

Parameters:

  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:



870
871
872
873
 
# File 'lib/cheminee/api/default_api.rb', line 870

def v1_schemas_get(opts = {})
  data, _status_code, _headers = v1_schemas_get_with_http_info(opts)
  data
end

#v1_schemas_get_with_http_info(opts = {}) ⇒ Array<(Array<Schema>, Integer, Hash)>

List schemas available for creating indexes

Parameters:

  • opts (Hash) (defaults to: {}) —

    the optional parameters

Returns:

  • (Array<(Array<Schema>, Integer, Hash)>) —

    Array<Schema> data, response status code and response headers



878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
 
# File 'lib/cheminee/api/default_api.rb', line 878

def v1_schemas_get_with_http_info(opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_schemas_get ...'
  end
  # resource path
  local_var_path = '/v1/schemas'

  # query parameters
  query_params = opts[:query_params] || {}

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body]

  # return_type
  return_type = opts[:debug_return_type] || 'Array<Schema>'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_schemas_get",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_schemas_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end

#v1_standardize_post(smiles, opts = {}) ⇒ Array<StandardizedSmiles>

Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines

Parameters:

  • smiles (Array<Smiles>)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :attempt_fix (String)

Returns:



927
928
929
930
 
# File 'lib/cheminee/api/default_api.rb', line 927

def v1_standardize_post(smiles, opts = {})
  data, _status_code, _headers = v1_standardize_post_with_http_info(smiles, opts)
  data
end

#v1_standardize_post_with_http_info(smiles, opts = {}) ⇒ Array<(Array<StandardizedSmiles>, Integer, Hash)>

Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines

Parameters:

  • smiles (Array<Smiles>)
  • opts (Hash) (defaults to: {}) —

    the optional parameters

Options Hash (opts):

  • :attempt_fix (String)

Returns:

  • (Array<(Array<StandardizedSmiles>, Integer, Hash)>) —

    Array<StandardizedSmiles> data, response status code and response headers



937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
 
# File 'lib/cheminee/api/default_api.rb', line 937

def v1_standardize_post_with_http_info(smiles, opts = {})
  if @api_client.config.debugging
    @api_client.config.logger.debug 'Calling API: DefaultApi.v1_standardize_post ...'
  end
  # verify the required parameter 'smiles' is set
  if @api_client.config.client_side_validation && smiles.nil?
    fail ArgumentError, "Missing the required parameter 'smiles' when calling DefaultApi.v1_standardize_post"
  end
  # resource path
  local_var_path = '/v1/standardize'

  # query parameters
  query_params = opts[:query_params] || {}
  query_params[:'attempt_fix'] = opts[:'attempt_fix'] if !opts[:'attempt_fix'].nil?

  # header parameters
  header_params = opts[:header_params] || {}
  # HTTP header 'Accept' (if needed)
  header_params['Accept'] = @api_client.select_header_accept(['application/json']) unless header_params['Accept']
  # HTTP header 'Content-Type'
  content_type = @api_client.select_header_content_type(['application/json; charset=utf-8'])
  if !content_type.nil?
      header_params['Content-Type'] = content_type
  end

  # form parameters
  form_params = opts[:form_params] || {}

  # http body (model)
  post_body = opts[:debug_body] || @api_client.object_to_http_body(smiles)

  # return_type
  return_type = opts[:debug_return_type] || 'Array<StandardizedSmiles>'

  # auth_names
  auth_names = opts[:debug_auth_names] || []

  new_options = opts.merge(
    :operation => :"DefaultApi.v1_standardize_post",
    :header_params => header_params,
    :query_params => query_params,
    :form_params => form_params,
    :body => post_body,
    :auth_names => auth_names,
    :return_type => return_type
  )

  data, status_code, headers = @api_client.call_api(:POST, local_var_path, new_options)
  if @api_client.config.debugging
    @api_client.config.logger.debug "API called: DefaultApi#v1_standardize_post\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
  end
  return data, status_code, headers
end