cheminee 0.0.15 → 0.1.5

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Files changed (37) hide show
  1. checksums.yaml +4 -4
  2. data/Gemfile.lock +4 -4
  3. data/README.md +19 -9
  4. data/cheminee.gemspec +1 -1
  5. data/docs/CreateIndexError.md +18 -0
  6. data/docs/DefaultApi.md +327 -10
  7. data/docs/GetIndexesResponseError.md +18 -0
  8. data/docs/IndexMeta.md +20 -0
  9. data/docs/ListIndexResponseErr.md +18 -0
  10. data/docs/Schema.md +20 -0
  11. data/docs/SubstructureSearchHit.md +24 -0
  12. data/lib/cheminee/api/default_api.rb +309 -9
  13. data/lib/cheminee/api_client.rb +3 -2
  14. data/lib/cheminee/api_error.rb +1 -1
  15. data/lib/cheminee/configuration.rb +6 -5
  16. data/lib/cheminee/models/create_index_error.rb +221 -0
  17. data/lib/cheminee/models/get_indexes_response_error.rb +221 -0
  18. data/lib/cheminee/models/index_meta.rb +237 -0
  19. data/lib/cheminee/models/list_index_response_err.rb +221 -0
  20. data/lib/cheminee/models/schema.rb +233 -0
  21. data/lib/cheminee/models/smile.rb +1 -1
  22. data/lib/cheminee/models/standardized_smile.rb +1 -1
  23. data/lib/cheminee/models/substructure_search_hit.rb +265 -0
  24. data/lib/cheminee/version.rb +2 -2
  25. data/lib/cheminee.rb +7 -1
  26. data/pkg/cheminee-0.1.5.gem +0 -0
  27. data/spec/api_client_spec.rb +1 -1
  28. data/spec/configuration_spec.rb +4 -4
  29. data/spec/models/create_index_error_spec.rb +36 -0
  30. data/spec/models/get_indexes_response_error_spec.rb +36 -0
  31. data/spec/models/index_meta_spec.rb +42 -0
  32. data/spec/models/list_index_response_err_spec.rb +36 -0
  33. data/spec/models/schema_spec.rb +42 -0
  34. data/spec/models/substructure_search_hit_spec.rb +54 -0
  35. data/spec/spec_helper.rb +1 -1
  36. metadata +27 -3
  37. data/pkg/cheminee-0.0.15.gem +0 -0
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data/Gemfile.lock CHANGED
@@ -1,7 +1,7 @@
1
1
  PATH
2
2
  remote: .
3
3
  specs:
4
- cheminee (0.0.15)
4
+ cheminee (0.1.5)
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5
  typhoeus (~> 1.0, >= 1.0.1)
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6
 
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  GEM
@@ -13,11 +13,11 @@ GEM
13
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  diff-lcs (1.5.0)
14
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  ethon (0.16.0)
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15
  ffi (>= 1.15.0)
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- ffi (1.15.5)
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+ ffi (1.16.3)
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17
  jaro_winkler (1.5.6)
18
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  method_source (1.0.0)
19
19
  parallel (1.23.0)
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- parser (3.2.2.3)
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+ parser (3.2.2.4)
21
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  ast (~> 2.4.1)
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  racc
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  pry (0.14.2)
@@ -26,7 +26,7 @@ GEM
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  pry-byebug (3.10.1)
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  byebug (~> 11.0)
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  pry (>= 0.13, < 0.15)
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- psych (5.1.0)
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+ psych (5.1.1.1)
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  stringio
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31
  racc (1.7.1)
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  rainbow (3.1.1)
data/README.md CHANGED
@@ -7,7 +7,7 @@ Cheminée: The Chemical Structure Search Engine
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7
  This SDK is automatically generated by the [OpenAPI Generator](https://openapi-generator.tech) project:
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8
 
9
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  - API version: 1.0
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- - Package version: 0.0.15
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+ - Package version: 0.1.5
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  - Build package: org.openapitools.codegen.languages.RubyClientCodegen
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12
  For more information, please visit [https://github.com/rdkit-rs/cheminee](https://github.com/rdkit-rs/cheminee)
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13
 
@@ -24,16 +24,16 @@ gem build cheminee.gemspec
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  Then either install the gem locally:
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  ```shell
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- gem install ./cheminee-0.0.15.gem
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+ gem install ./cheminee-0.1.5.gem
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  ```
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29
 
30
- (for development, run `gem install --dev ./cheminee-0.0.15.gem` to install the development dependencies)
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+ (for development, run `gem install --dev ./cheminee-0.1.5.gem` to install the development dependencies)
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32
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  or publish the gem to a gem hosting service, e.g. [RubyGems](https://rubygems.org/).
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  Finally add this to the Gemfile:
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- gem 'cheminee', '~> 0.0.15'
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+ gem 'cheminee', '~> 0.1.5'
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37
 
38
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  ### Install from Git
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@@ -58,30 +58,40 @@ Please follow the [installation](#installation) procedure and then run the follo
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  require 'cheminee'
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59
 
60
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  api_instance = Cheminee::DefaultApi.new
61
- smile = [Cheminee::Smile.new({smile: 'smile_example'})] # Array<Smile> |
62
61
 
63
62
  begin
64
- result = api_instance.standardize_post(smile)
63
+ result = api_instance.v1_indexes_get
65
64
  p result
66
65
  rescue Cheminee::ApiError => e
67
- puts "Exception when calling DefaultApi->standardize_post: #{e}"
66
+ puts "Exception when calling DefaultApi->v1_indexes_get: #{e}"
68
67
  end
69
68
 
70
69
  ```
71
70
 
72
71
  ## Documentation for API Endpoints
73
72
 
74
- All URIs are relative to *http://localhost:3000/api/v1*
73
+ All URIs are relative to *http://localhost:3000/api*
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74
 
76
75
  Class | Method | HTTP request | Description
77
76
  ------------ | ------------- | ------------- | -------------
78
- *Cheminee::DefaultApi* | [**standardize_post**](docs/DefaultApi.md#standardize_post) | **POST** /standardize |
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+ *Cheminee::DefaultApi* | [**v1_indexes_get**](docs/DefaultApi.md#v1_indexes_get) | **GET** /v1/indexes |
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+ *Cheminee::DefaultApi* | [**v1_indexes_index_get**](docs/DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} |
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+ *Cheminee::DefaultApi* | [**v1_indexes_index_post**](docs/DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} |
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+ *Cheminee::DefaultApi* | [**v1_indexes_index_search_substructure_get**](docs/DefaultApi.md#v1_indexes_index_search_substructure_get) | **GET** /v1/indexes/{index}/search/substructure |
81
+ *Cheminee::DefaultApi* | [**v1_schemas_get**](docs/DefaultApi.md#v1_schemas_get) | **GET** /v1/schemas |
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+ *Cheminee::DefaultApi* | [**v1_standardize_post**](docs/DefaultApi.md#v1_standardize_post) | **POST** /v1/standardize |
79
83
 
80
84
 
81
85
  ## Documentation for Models
82
86
 
87
+ - [Cheminee::CreateIndexError](docs/CreateIndexError.md)
88
+ - [Cheminee::GetIndexesResponseError](docs/GetIndexesResponseError.md)
89
+ - [Cheminee::IndexMeta](docs/IndexMeta.md)
90
+ - [Cheminee::ListIndexResponseErr](docs/ListIndexResponseErr.md)
91
+ - [Cheminee::Schema](docs/Schema.md)
83
92
  - [Cheminee::Smile](docs/Smile.md)
84
93
  - [Cheminee::StandardizedSmile](docs/StandardizedSmile.md)
94
+ - [Cheminee::SubstructureSearchHit](docs/SubstructureSearchHit.md)
85
95
 
86
96
 
87
97
  ## Documentation for Authorization
data/cheminee.gemspec CHANGED
@@ -8,7 +8,7 @@
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  The version of the OpenAPI document: 1.0
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  Generated by: https://openapi-generator.tech
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- OpenAPI Generator version: 7.0.0-SNAPSHOT
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+ OpenAPI Generator version: 7.1.0-SNAPSHOT
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  =end
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@@ -0,0 +1,18 @@
1
+ # Cheminee::CreateIndexError
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+
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+ ## Properties
4
+
5
+ | Name | Type | Description | Notes |
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+ | ---- | ---- | ----------- | ----- |
7
+ | **error** | **String** | | |
8
+
9
+ ## Example
10
+
11
+ ```ruby
12
+ require 'cheminee'
13
+
14
+ instance = Cheminee::CreateIndexError.new(
15
+ error: null
16
+ )
17
+ ```
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+
data/docs/DefaultApi.md CHANGED
@@ -1,15 +1,332 @@
1
1
  # Cheminee::DefaultApi
2
2
 
3
- All URIs are relative to *http://localhost:3000/api/v1*
3
+ All URIs are relative to *http://localhost:3000/api*
4
4
 
5
5
  | Method | HTTP request | Description |
6
6
  | ------ | ------------ | ----------- |
7
- | [**standardize_post**](DefaultApi.md#standardize_post) | **POST** /standardize | |
7
+ | [**v1_indexes_get**](DefaultApi.md#v1_indexes_get) | **GET** /v1/indexes | |
8
+ | [**v1_indexes_index_get**](DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} | |
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+ | [**v1_indexes_index_post**](DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} | |
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+ | [**v1_indexes_index_search_substructure_get**](DefaultApi.md#v1_indexes_index_search_substructure_get) | **GET** /v1/indexes/{index}/search/substructure | |
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+ | [**v1_schemas_get**](DefaultApi.md#v1_schemas_get) | **GET** /v1/schemas | |
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+ | [**v1_standardize_post**](DefaultApi.md#v1_standardize_post) | **POST** /v1/standardize | |
8
13
 
9
14
 
10
- ## standardize_post
15
+ ## v1_indexes_get
11
16
 
12
- > <Array<StandardizedSmile>> standardize_post(smile)
17
+ > <Array<IndexMeta>> v1_indexes_get
18
+
19
+
20
+
21
+ ### Examples
22
+
23
+ ```ruby
24
+ require 'time'
25
+ require 'cheminee'
26
+
27
+ api_instance = Cheminee::DefaultApi.new
28
+
29
+ begin
30
+
31
+ result = api_instance.v1_indexes_get
32
+ p result
33
+ rescue Cheminee::ApiError => e
34
+ puts "Error when calling DefaultApi->v1_indexes_get: #{e}"
35
+ end
36
+ ```
37
+
38
+ #### Using the v1_indexes_get_with_http_info variant
39
+
40
+ This returns an Array which contains the response data, status code and headers.
41
+
42
+ > <Array(<Array<IndexMeta>>, Integer, Hash)> v1_indexes_get_with_http_info
43
+
44
+ ```ruby
45
+ begin
46
+
47
+ data, status_code, headers = api_instance.v1_indexes_get_with_http_info
48
+ p status_code # => 2xx
49
+ p headers # => { ... }
50
+ p data # => <Array<IndexMeta>>
51
+ rescue Cheminee::ApiError => e
52
+ puts "Error when calling DefaultApi->v1_indexes_get_with_http_info: #{e}"
53
+ end
54
+ ```
55
+
56
+ ### Parameters
57
+
58
+ This endpoint does not need any parameter.
59
+
60
+ ### Return type
61
+
62
+ [**Array&lt;IndexMeta&gt;**](IndexMeta.md)
63
+
64
+ ### Authorization
65
+
66
+ No authorization required
67
+
68
+ ### HTTP request headers
69
+
70
+ - **Content-Type**: Not defined
71
+ - **Accept**: application/json; charset=utf-8
72
+
73
+
74
+ ## v1_indexes_index_get
75
+
76
+ > <Array<IndexMeta>> v1_indexes_index_get(index)
77
+
78
+
79
+
80
+ ### Examples
81
+
82
+ ```ruby
83
+ require 'time'
84
+ require 'cheminee'
85
+
86
+ api_instance = Cheminee::DefaultApi.new
87
+ index = 'index_example' # String |
88
+
89
+ begin
90
+
91
+ result = api_instance.v1_indexes_index_get(index)
92
+ p result
93
+ rescue Cheminee::ApiError => e
94
+ puts "Error when calling DefaultApi->v1_indexes_index_get: #{e}"
95
+ end
96
+ ```
97
+
98
+ #### Using the v1_indexes_index_get_with_http_info variant
99
+
100
+ This returns an Array which contains the response data, status code and headers.
101
+
102
+ > <Array(<Array<IndexMeta>>, Integer, Hash)> v1_indexes_index_get_with_http_info(index)
103
+
104
+ ```ruby
105
+ begin
106
+
107
+ data, status_code, headers = api_instance.v1_indexes_index_get_with_http_info(index)
108
+ p status_code # => 2xx
109
+ p headers # => { ... }
110
+ p data # => <Array<IndexMeta>>
111
+ rescue Cheminee::ApiError => e
112
+ puts "Error when calling DefaultApi->v1_indexes_index_get_with_http_info: #{e}"
113
+ end
114
+ ```
115
+
116
+ ### Parameters
117
+
118
+ | Name | Type | Description | Notes |
119
+ | ---- | ---- | ----------- | ----- |
120
+ | **index** | **String** | | |
121
+
122
+ ### Return type
123
+
124
+ [**Array&lt;IndexMeta&gt;**](IndexMeta.md)
125
+
126
+ ### Authorization
127
+
128
+ No authorization required
129
+
130
+ ### HTTP request headers
131
+
132
+ - **Content-Type**: Not defined
133
+ - **Accept**: application/json; charset=utf-8
134
+
135
+
136
+ ## v1_indexes_index_post
137
+
138
+ > <IndexMeta> v1_indexes_index_post(index, schema, opts)
139
+
140
+
141
+
142
+ ### Examples
143
+
144
+ ```ruby
145
+ require 'time'
146
+ require 'cheminee'
147
+
148
+ api_instance = Cheminee::DefaultApi.new
149
+ index = 'index_example' # String |
150
+ schema = 'schema_example' # String |
151
+ opts = {
152
+ sort_by: 'sort_by_example' # String |
153
+ }
154
+
155
+ begin
156
+
157
+ result = api_instance.v1_indexes_index_post(index, schema, opts)
158
+ p result
159
+ rescue Cheminee::ApiError => e
160
+ puts "Error when calling DefaultApi->v1_indexes_index_post: #{e}"
161
+ end
162
+ ```
163
+
164
+ #### Using the v1_indexes_index_post_with_http_info variant
165
+
166
+ This returns an Array which contains the response data, status code and headers.
167
+
168
+ > <Array(<IndexMeta>, Integer, Hash)> v1_indexes_index_post_with_http_info(index, schema, opts)
169
+
170
+ ```ruby
171
+ begin
172
+
173
+ data, status_code, headers = api_instance.v1_indexes_index_post_with_http_info(index, schema, opts)
174
+ p status_code # => 2xx
175
+ p headers # => { ... }
176
+ p data # => <IndexMeta>
177
+ rescue Cheminee::ApiError => e
178
+ puts "Error when calling DefaultApi->v1_indexes_index_post_with_http_info: #{e}"
179
+ end
180
+ ```
181
+
182
+ ### Parameters
183
+
184
+ | Name | Type | Description | Notes |
185
+ | ---- | ---- | ----------- | ----- |
186
+ | **index** | **String** | | |
187
+ | **schema** | **String** | | |
188
+ | **sort_by** | **String** | | [optional] |
189
+
190
+ ### Return type
191
+
192
+ [**IndexMeta**](IndexMeta.md)
193
+
194
+ ### Authorization
195
+
196
+ No authorization required
197
+
198
+ ### HTTP request headers
199
+
200
+ - **Content-Type**: Not defined
201
+ - **Accept**: application/json; charset=utf-8
202
+
203
+
204
+ ## v1_indexes_index_search_substructure_get
205
+
206
+ > <Array<SubstructureSearchHit>> v1_indexes_index_search_substructure_get(index, q)
207
+
208
+
209
+
210
+ ### Examples
211
+
212
+ ```ruby
213
+ require 'time'
214
+ require 'cheminee'
215
+
216
+ api_instance = Cheminee::DefaultApi.new
217
+ index = 'index_example' # String |
218
+ q = 'q_example' # String |
219
+
220
+ begin
221
+
222
+ result = api_instance.v1_indexes_index_search_substructure_get(index, q)
223
+ p result
224
+ rescue Cheminee::ApiError => e
225
+ puts "Error when calling DefaultApi->v1_indexes_index_search_substructure_get: #{e}"
226
+ end
227
+ ```
228
+
229
+ #### Using the v1_indexes_index_search_substructure_get_with_http_info variant
230
+
231
+ This returns an Array which contains the response data, status code and headers.
232
+
233
+ > <Array(<Array<SubstructureSearchHit>>, Integer, Hash)> v1_indexes_index_search_substructure_get_with_http_info(index, q)
234
+
235
+ ```ruby
236
+ begin
237
+
238
+ data, status_code, headers = api_instance.v1_indexes_index_search_substructure_get_with_http_info(index, q)
239
+ p status_code # => 2xx
240
+ p headers # => { ... }
241
+ p data # => <Array<SubstructureSearchHit>>
242
+ rescue Cheminee::ApiError => e
243
+ puts "Error when calling DefaultApi->v1_indexes_index_search_substructure_get_with_http_info: #{e}"
244
+ end
245
+ ```
246
+
247
+ ### Parameters
248
+
249
+ | Name | Type | Description | Notes |
250
+ | ---- | ---- | ----------- | ----- |
251
+ | **index** | **String** | | |
252
+ | **q** | **String** | | |
253
+
254
+ ### Return type
255
+
256
+ [**Array&lt;SubstructureSearchHit&gt;**](SubstructureSearchHit.md)
257
+
258
+ ### Authorization
259
+
260
+ No authorization required
261
+
262
+ ### HTTP request headers
263
+
264
+ - **Content-Type**: Not defined
265
+ - **Accept**: application/json; charset=utf-8
266
+
267
+
268
+ ## v1_schemas_get
269
+
270
+ > <Array<Schema>> v1_schemas_get
271
+
272
+
273
+
274
+ ### Examples
275
+
276
+ ```ruby
277
+ require 'time'
278
+ require 'cheminee'
279
+
280
+ api_instance = Cheminee::DefaultApi.new
281
+
282
+ begin
283
+
284
+ result = api_instance.v1_schemas_get
285
+ p result
286
+ rescue Cheminee::ApiError => e
287
+ puts "Error when calling DefaultApi->v1_schemas_get: #{e}"
288
+ end
289
+ ```
290
+
291
+ #### Using the v1_schemas_get_with_http_info variant
292
+
293
+ This returns an Array which contains the response data, status code and headers.
294
+
295
+ > <Array(<Array<Schema>>, Integer, Hash)> v1_schemas_get_with_http_info
296
+
297
+ ```ruby
298
+ begin
299
+
300
+ data, status_code, headers = api_instance.v1_schemas_get_with_http_info
301
+ p status_code # => 2xx
302
+ p headers # => { ... }
303
+ p data # => <Array<Schema>>
304
+ rescue Cheminee::ApiError => e
305
+ puts "Error when calling DefaultApi->v1_schemas_get_with_http_info: #{e}"
306
+ end
307
+ ```
308
+
309
+ ### Parameters
310
+
311
+ This endpoint does not need any parameter.
312
+
313
+ ### Return type
314
+
315
+ [**Array&lt;Schema&gt;**](Schema.md)
316
+
317
+ ### Authorization
318
+
319
+ No authorization required
320
+
321
+ ### HTTP request headers
322
+
323
+ - **Content-Type**: Not defined
324
+ - **Accept**: application/json; charset=utf-8
325
+
326
+
327
+ ## v1_standardize_post
328
+
329
+ > <Array<StandardizedSmile>> v1_standardize_post(smile)
13
330
 
14
331
 
15
332
 
@@ -24,28 +341,28 @@ smile = [Cheminee::Smile.new({smile: 'smile_example'})] # Array<Smile> |
24
341
 
25
342
  begin
26
343
 
27
- result = api_instance.standardize_post(smile)
344
+ result = api_instance.v1_standardize_post(smile)
28
345
  p result
29
346
  rescue Cheminee::ApiError => e
30
- puts "Error when calling DefaultApi->standardize_post: #{e}"
347
+ puts "Error when calling DefaultApi->v1_standardize_post: #{e}"
31
348
  end
32
349
  ```
33
350
 
34
- #### Using the standardize_post_with_http_info variant
351
+ #### Using the v1_standardize_post_with_http_info variant
35
352
 
36
353
  This returns an Array which contains the response data, status code and headers.
37
354
 
38
- > <Array(<Array<StandardizedSmile>>, Integer, Hash)> standardize_post_with_http_info(smile)
355
+ > <Array(<Array<StandardizedSmile>>, Integer, Hash)> v1_standardize_post_with_http_info(smile)
39
356
 
40
357
  ```ruby
41
358
  begin
42
359
 
43
- data, status_code, headers = api_instance.standardize_post_with_http_info(smile)
360
+ data, status_code, headers = api_instance.v1_standardize_post_with_http_info(smile)
44
361
  p status_code # => 2xx
45
362
  p headers # => { ... }
46
363
  p data # => <Array<StandardizedSmile>>
47
364
  rescue Cheminee::ApiError => e
48
- puts "Error when calling DefaultApi->standardize_post_with_http_info: #{e}"
365
+ puts "Error when calling DefaultApi->v1_standardize_post_with_http_info: #{e}"
49
366
  end
50
367
  ```
51
368
 
@@ -0,0 +1,18 @@
1
+ # Cheminee::GetIndexesResponseError
2
+
3
+ ## Properties
4
+
5
+ | Name | Type | Description | Notes |
6
+ | ---- | ---- | ----------- | ----- |
7
+ | **error** | **String** | | |
8
+
9
+ ## Example
10
+
11
+ ```ruby
12
+ require 'cheminee'
13
+
14
+ instance = Cheminee::GetIndexesResponseError.new(
15
+ error: null
16
+ )
17
+ ```
18
+
data/docs/IndexMeta.md ADDED
@@ -0,0 +1,20 @@
1
+ # Cheminee::IndexMeta
2
+
3
+ ## Properties
4
+
5
+ | Name | Type | Description | Notes |
6
+ | ---- | ---- | ----------- | ----- |
7
+ | **name** | **String** | | |
8
+ | **schema** | **String** | | |
9
+
10
+ ## Example
11
+
12
+ ```ruby
13
+ require 'cheminee'
14
+
15
+ instance = Cheminee::IndexMeta.new(
16
+ name: null,
17
+ schema: null
18
+ )
19
+ ```
20
+
@@ -0,0 +1,18 @@
1
+ # Cheminee::ListIndexResponseErr
2
+
3
+ ## Properties
4
+
5
+ | Name | Type | Description | Notes |
6
+ | ---- | ---- | ----------- | ----- |
7
+ | **error** | **String** | | |
8
+
9
+ ## Example
10
+
11
+ ```ruby
12
+ require 'cheminee'
13
+
14
+ instance = Cheminee::ListIndexResponseErr.new(
15
+ error: null
16
+ )
17
+ ```
18
+
data/docs/Schema.md ADDED
@@ -0,0 +1,20 @@
1
+ # Cheminee::Schema
2
+
3
+ ## Properties
4
+
5
+ | Name | Type | Description | Notes |
6
+ | ---- | ---- | ----------- | ----- |
7
+ | **name** | **String** | | |
8
+ | **schema** | **Object** | | |
9
+
10
+ ## Example
11
+
12
+ ```ruby
13
+ require 'cheminee'
14
+
15
+ instance = Cheminee::Schema.new(
16
+ name: null,
17
+ schema: null
18
+ )
19
+ ```
20
+
@@ -0,0 +1,24 @@
1
+ # Cheminee::SubstructureSearchHit
2
+
3
+ ## Properties
4
+
5
+ | Name | Type | Description | Notes |
6
+ | ---- | ---- | ----------- | ----- |
7
+ | **extra_data** | **Object** | | |
8
+ | **smiles** | **String** | | |
9
+ | **score** | **Float** | | |
10
+ | **query** | **String** | | |
11
+
12
+ ## Example
13
+
14
+ ```ruby
15
+ require 'cheminee'
16
+
17
+ instance = Cheminee::SubstructureSearchHit.new(
18
+ extra_data: null,
19
+ smiles: null,
20
+ score: null,
21
+ query: null
22
+ )
23
+ ```
24
+