cheminee 0.0.14 → 0.0.15

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (73) hide show
  1. checksums.yaml +4 -4
  2. data/Gemfile.lock +8 -8
  3. data/README.md +11 -33
  4. data/cheminee.gemspec +1 -2
  5. data/docs/DefaultApi.md +16 -475
  6. data/lib/cheminee/api/default_api.rb +17 -481
  7. data/lib/cheminee/api_client.rb +21 -23
  8. data/lib/cheminee/api_error.rb +1 -1
  9. data/lib/cheminee/configuration.rb +5 -6
  10. data/lib/cheminee/models/smile.rb +1 -1
  11. data/lib/cheminee/models/standardized_smile.rb +1 -1
  12. data/lib/cheminee/version.rb +2 -2
  13. data/lib/cheminee.rb +3 -18
  14. data/pkg/cheminee-0.0.15.gem +0 -0
  15. data/spec/api_client_spec.rb +1 -1
  16. data/spec/configuration_spec.rb +4 -4
  17. data/spec/spec_helper.rb +1 -1
  18. metadata +3 -75
  19. data/docs/BulkRequest.md +0 -18
  20. data/docs/BulkRequestDoc.md +0 -20
  21. data/docs/CreateIndexError.md +0 -18
  22. data/docs/GetIndexesResponseError.md +0 -18
  23. data/docs/IndexMeta.md +0 -20
  24. data/docs/IndexSchema.md +0 -20
  25. data/docs/ListIndexResponseErr.md +0 -18
  26. data/docs/PostIndexBulkResponseError.md +0 -18
  27. data/docs/PostIndexBulkResponseOk.md +0 -18
  28. data/docs/PostIndexBulkResponseOkStatus.md +0 -20
  29. data/docs/QueryResponseError.md +0 -18
  30. data/docs/QuerySearchHit.md +0 -22
  31. data/docs/Schema.md +0 -20
  32. data/docs/Smiles.md +0 -18
  33. data/docs/StandardizedSmiles.md +0 -20
  34. data/docs/StructureResponseError.md +0 -18
  35. data/docs/StructureSearchHit.md +0 -26
  36. data/docs/SubstructureSearchHit.md +0 -24
  37. data/lib/cheminee/models/bulk_request.rb +0 -223
  38. data/lib/cheminee/models/bulk_request_doc.rb +0 -232
  39. data/lib/cheminee/models/create_index_error.rb +0 -221
  40. data/lib/cheminee/models/get_indexes_response_error.rb +0 -221
  41. data/lib/cheminee/models/index_meta.rb +0 -237
  42. data/lib/cheminee/models/index_schema.rb +0 -233
  43. data/lib/cheminee/models/list_index_response_err.rb +0 -221
  44. data/lib/cheminee/models/post_index_bulk_response_error.rb +0 -221
  45. data/lib/cheminee/models/post_index_bulk_response_ok.rb +0 -223
  46. data/lib/cheminee/models/post_index_bulk_response_ok_status.rb +0 -223
  47. data/lib/cheminee/models/query_response_error.rb +0 -221
  48. data/lib/cheminee/models/query_search_hit.rb +0 -249
  49. data/lib/cheminee/models/schema.rb +0 -233
  50. data/lib/cheminee/models/smiles.rb +0 -221
  51. data/lib/cheminee/models/standardized_smiles.rb +0 -223
  52. data/lib/cheminee/models/structure_response_error.rb +0 -221
  53. data/lib/cheminee/models/structure_search_hit.rb +0 -281
  54. data/lib/cheminee/models/substructure_search_hit.rb +0 -265
  55. data/pkg/cheminee-0.0.14.gem +0 -0
  56. data/spec/models/bulk_request_doc_spec.rb +0 -42
  57. data/spec/models/bulk_request_spec.rb +0 -36
  58. data/spec/models/create_index_error_spec.rb +0 -36
  59. data/spec/models/get_indexes_response_error_spec.rb +0 -36
  60. data/spec/models/index_meta_spec.rb +0 -42
  61. data/spec/models/index_schema_spec.rb +0 -42
  62. data/spec/models/list_index_response_err_spec.rb +0 -36
  63. data/spec/models/post_index_bulk_response_error_spec.rb +0 -36
  64. data/spec/models/post_index_bulk_response_ok_spec.rb +0 -36
  65. data/spec/models/post_index_bulk_response_ok_status_spec.rb +0 -42
  66. data/spec/models/query_response_error_spec.rb +0 -36
  67. data/spec/models/query_search_hit_spec.rb +0 -48
  68. data/spec/models/schema_spec.rb +0 -42
  69. data/spec/models/smiles_spec.rb +0 -36
  70. data/spec/models/standardized_smiles_spec.rb +0 -42
  71. data/spec/models/structure_response_error_spec.rb +0 -36
  72. data/spec/models/structure_search_hit_spec.rb +0 -60
  73. data/spec/models/substructure_search_hit_spec.rb +0 -54
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data/Gemfile.lock CHANGED
@@ -1,7 +1,7 @@
1
1
  PATH
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  remote: .
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3
  specs:
4
- cheminee (0.0.14)
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+ cheminee (0.0.15)
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5
  typhoeus (~> 1.0, >= 1.0.1)
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6
 
7
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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)
15
15
  ffi (>= 1.15.0)
16
- ffi (1.16.3)
16
+ ffi (1.15.5)
17
17
  jaro_winkler (1.5.6)
18
18
  method_source (1.0.0)
19
- parallel (1.24.0)
20
- parser (3.3.0.5)
19
+ parallel (1.23.0)
20
+ parser (3.2.2.3)
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  ast (~> 2.4.1)
22
22
  racc
23
23
  pry (0.14.2)
@@ -26,9 +26,9 @@ GEM
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26
  pry-byebug (3.10.1)
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27
  byebug (~> 11.0)
28
28
  pry (>= 0.13, < 0.15)
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- psych (5.1.2)
29
+ psych (5.1.0)
30
30
  stringio
31
- racc (1.7.3)
31
+ racc (1.7.1)
32
32
  rainbow (3.1.1)
33
33
  rake (13.0.6)
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34
  rspec (3.12.0)
@@ -53,8 +53,8 @@ GEM
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  ruby-progressbar (~> 1.7)
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  unicode-display_width (>= 1.4.0, < 1.6)
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  ruby-progressbar (1.13.0)
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- stringio (3.1.0)
57
- typhoeus (1.4.1)
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+ stringio (3.0.8)
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+ typhoeus (1.4.0)
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58
  ethon (>= 0.9.0)
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  unicode-display_width (1.5.0)
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data/README.md CHANGED
@@ -7,7 +7,7 @@ Cheminée: The Chemical Structure Search Engine
7
7
  This SDK is automatically generated by the [OpenAPI Generator](https://openapi-generator.tech) project:
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8
 
9
9
  - API version: 1.0
10
- - Package version: 0.0.14
10
+ - Package version: 0.0.15
11
11
  - Build package: org.openapitools.codegen.languages.RubyClientCodegen
12
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
24
24
  Then either install the gem locally:
25
25
 
26
26
  ```shell
27
- gem install ./cheminee-0.0.14.gem
27
+ gem install ./cheminee-0.0.15.gem
28
28
  ```
29
29
 
30
- (for development, run `gem install --dev ./cheminee-0.0.14.gem` to install the development dependencies)
30
+ (for development, run `gem install --dev ./cheminee-0.0.15.gem` to install the development dependencies)
31
31
 
32
32
  or publish the gem to a gem hosting service, e.g. [RubyGems](https://rubygems.org/).
33
33
 
34
34
  Finally add this to the Gemfile:
35
35
 
36
- gem 'cheminee', '~> 0.0.14'
36
+ gem 'cheminee', '~> 0.0.15'
37
37
 
38
38
  ### Install from Git
39
39
 
@@ -58,52 +58,30 @@ Please follow the [installation](#installation) procedure and then run the follo
58
58
  require 'cheminee'
59
59
 
60
60
  api_instance = Cheminee::DefaultApi.new
61
+ smile = [Cheminee::Smile.new({smile: 'smile_example'})] # Array<Smile> |
61
62
 
62
63
  begin
63
- #List indexes
64
- result = api_instance.v1_indexes_get
64
+ result = api_instance.standardize_post(smile)
65
65
  p result
66
66
  rescue Cheminee::ApiError => e
67
- puts "Exception when calling DefaultApi->v1_indexes_get: #{e}"
67
+ puts "Exception when calling DefaultApi->standardize_post: #{e}"
68
68
  end
69
69
 
70
70
  ```
71
71
 
72
72
  ## Documentation for API Endpoints
73
73
 
74
- All URIs are relative to *http://localhost:3000/api*
74
+ All URIs are relative to *http://localhost:3000/api/v1*
75
75
 
76
76
  Class | Method | HTTP request | Description
77
77
  ------------ | ------------- | ------------- | -------------
78
- *Cheminee::DefaultApi* | [**v1_indexes_get**](docs/DefaultApi.md#v1_indexes_get) | **GET** /v1/indexes | List indexes
79
- *Cheminee::DefaultApi* | [**v1_indexes_index_bulk_index_post**](docs/DefaultApi.md#v1_indexes_index_bulk_index_post) | **POST** /v1/indexes/{index}/bulk_index | Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
80
- *Cheminee::DefaultApi* | [**v1_indexes_index_get**](docs/DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} | Get extended information about an index
81
- *Cheminee::DefaultApi* | [**v1_indexes_index_post**](docs/DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} | Create an index
82
- *Cheminee::DefaultApi* | [**v1_indexes_index_search_basic_get**](docs/DefaultApi.md#v1_indexes_index_search_basic_get) | **GET** /v1/indexes/{index}/search/basic | Perform basic query search against index
83
- *Cheminee::DefaultApi* | [**v1_indexes_index_search_substructure_get**](docs/DefaultApi.md#v1_indexes_index_search_substructure_get) | **GET** /v1/indexes/{index}/search/substructure | Perform substructure search against index
84
- *Cheminee::DefaultApi* | [**v1_schemas_get**](docs/DefaultApi.md#v1_schemas_get) | **GET** /v1/schemas | List schemas available for creating indexes
85
- *Cheminee::DefaultApi* | [**v1_standardize_post**](docs/DefaultApi.md#v1_standardize_post) | **POST** /v1/standardize | Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
78
+ *Cheminee::DefaultApi* | [**standardize_post**](docs/DefaultApi.md#standardize_post) | **POST** /standardize |
86
79
 
87
80
 
88
81
  ## Documentation for Models
89
82
 
90
- - [Cheminee::BulkRequest](docs/BulkRequest.md)
91
- - [Cheminee::BulkRequestDoc](docs/BulkRequestDoc.md)
92
- - [Cheminee::CreateIndexError](docs/CreateIndexError.md)
93
- - [Cheminee::GetIndexesResponseError](docs/GetIndexesResponseError.md)
94
- - [Cheminee::IndexMeta](docs/IndexMeta.md)
95
- - [Cheminee::IndexSchema](docs/IndexSchema.md)
96
- - [Cheminee::ListIndexResponseErr](docs/ListIndexResponseErr.md)
97
- - [Cheminee::PostIndexBulkResponseError](docs/PostIndexBulkResponseError.md)
98
- - [Cheminee::PostIndexBulkResponseOk](docs/PostIndexBulkResponseOk.md)
99
- - [Cheminee::PostIndexBulkResponseOkStatus](docs/PostIndexBulkResponseOkStatus.md)
100
- - [Cheminee::QueryResponseError](docs/QueryResponseError.md)
101
- - [Cheminee::QuerySearchHit](docs/QuerySearchHit.md)
102
- - [Cheminee::Schema](docs/Schema.md)
103
- - [Cheminee::Smiles](docs/Smiles.md)
104
- - [Cheminee::StandardizedSmiles](docs/StandardizedSmiles.md)
105
- - [Cheminee::StructureResponseError](docs/StructureResponseError.md)
106
- - [Cheminee::StructureSearchHit](docs/StructureSearchHit.md)
83
+ - [Cheminee::Smile](docs/Smile.md)
84
+ - [Cheminee::StandardizedSmile](docs/StandardizedSmile.md)
107
85
 
108
86
 
109
87
  ## 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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9
 
10
10
  Generated by: https://openapi-generator.tech
11
- OpenAPI Generator version: 7.3.0-SNAPSHOT
11
+ OpenAPI Generator version: 7.0.0-SNAPSHOT
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12
 
13
13
  =end
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14
 
@@ -26,7 +26,6 @@ Gem::Specification.new do |s|
26
26
  s.description = "Cheminée: The Chemical Structure Search Engine"
27
27
  s.license = "Unlicense"
28
28
  s.required_ruby_version = ">= 3.0"
29
- s.metadata = {}
30
29
 
31
30
  s.add_runtime_dependency 'typhoeus', '~> 1.0', '>= 1.0.1'
32
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data/docs/DefaultApi.md CHANGED
@@ -1,476 +1,17 @@
1
1
  # Cheminee::DefaultApi
2
2
 
3
- All URIs are relative to *http://localhost:3000/api*
3
+ All URIs are relative to *http://localhost:3000/api/v1*
4
4
 
5
5
  | Method | HTTP request | Description |
6
6
  | ------ | ------------ | ----------- |
7
- | [**v1_indexes_get**](DefaultApi.md#v1_indexes_get) | **GET** /v1/indexes | List indexes |
8
- | [**v1_indexes_index_bulk_index_post**](DefaultApi.md#v1_indexes_index_bulk_index_post) | **POST** /v1/indexes/{index}/bulk_index | Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable |
9
- | [**v1_indexes_index_get**](DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} | Get extended information about an index |
10
- | [**v1_indexes_index_post**](DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} | Create an index |
11
- | [**v1_indexes_index_search_basic_get**](DefaultApi.md#v1_indexes_index_search_basic_get) | **GET** /v1/indexes/{index}/search/basic | Perform basic query search against index |
12
- | [**v1_indexes_index_search_substructure_get**](DefaultApi.md#v1_indexes_index_search_substructure_get) | **GET** /v1/indexes/{index}/search/substructure | Perform substructure search against index |
13
- | [**v1_schemas_get**](DefaultApi.md#v1_schemas_get) | **GET** /v1/schemas | List schemas available for creating indexes |
14
- | [**v1_standardize_post**](DefaultApi.md#v1_standardize_post) | **POST** /v1/standardize | Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines |
7
+ | [**standardize_post**](DefaultApi.md#standardize_post) | **POST** /standardize | |
15
8
 
16
9
 
17
- ## v1_indexes_get
10
+ ## standardize_post
18
11
 
19
- > <Array<IndexMeta>> v1_indexes_get
12
+ > <Array<StandardizedSmile>> standardize_post(smile)
20
13
 
21
- List indexes
22
14
 
23
- ### Examples
24
-
25
- ```ruby
26
- require 'time'
27
- require 'cheminee'
28
-
29
- api_instance = Cheminee::DefaultApi.new
30
-
31
- begin
32
- # List indexes
33
- result = api_instance.v1_indexes_get
34
- p result
35
- rescue Cheminee::ApiError => e
36
- puts "Error when calling DefaultApi->v1_indexes_get: #{e}"
37
- end
38
- ```
39
-
40
- #### Using the v1_indexes_get_with_http_info variant
41
-
42
- This returns an Array which contains the response data, status code and headers.
43
-
44
- > <Array(<Array<IndexMeta>>, Integer, Hash)> v1_indexes_get_with_http_info
45
-
46
- ```ruby
47
- begin
48
- # List indexes
49
- data, status_code, headers = api_instance.v1_indexes_get_with_http_info
50
- p status_code # => 2xx
51
- p headers # => { ... }
52
- p data # => <Array<IndexMeta>>
53
- rescue Cheminee::ApiError => e
54
- puts "Error when calling DefaultApi->v1_indexes_get_with_http_info: #{e}"
55
- end
56
- ```
57
-
58
- ### Parameters
59
-
60
- This endpoint does not need any parameter.
61
-
62
- ### Return type
63
-
64
- [**Array&lt;IndexMeta&gt;**](IndexMeta.md)
65
-
66
- ### Authorization
67
-
68
- No authorization required
69
-
70
- ### HTTP request headers
71
-
72
- - **Content-Type**: Not defined
73
- - **Accept**: application/json; charset=utf-8
74
-
75
-
76
- ## v1_indexes_index_bulk_index_post
77
-
78
- > <PostIndexBulkResponseOk> v1_indexes_index_bulk_index_post(index, bulk_request)
79
-
80
- Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
81
-
82
- ### Examples
83
-
84
- ```ruby
85
- require 'time'
86
- require 'cheminee'
87
-
88
- api_instance = Cheminee::DefaultApi.new
89
- index = 'index_example' # String |
90
- bulk_request = Cheminee::BulkRequest.new({docs: [Cheminee::BulkRequestDoc.new({smiles: 'smiles_example'})]}) # BulkRequest |
91
-
92
- begin
93
- # Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
94
- result = api_instance.v1_indexes_index_bulk_index_post(index, bulk_request)
95
- p result
96
- rescue Cheminee::ApiError => e
97
- puts "Error when calling DefaultApi->v1_indexes_index_bulk_index_post: #{e}"
98
- end
99
- ```
100
-
101
- #### Using the v1_indexes_index_bulk_index_post_with_http_info variant
102
-
103
- This returns an Array which contains the response data, status code and headers.
104
-
105
- > <Array(<PostIndexBulkResponseOk>, Integer, Hash)> v1_indexes_index_bulk_index_post_with_http_info(index, bulk_request)
106
-
107
- ```ruby
108
- begin
109
- # Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
110
- data, status_code, headers = api_instance.v1_indexes_index_bulk_index_post_with_http_info(index, bulk_request)
111
- p status_code # => 2xx
112
- p headers # => { ... }
113
- p data # => <PostIndexBulkResponseOk>
114
- rescue Cheminee::ApiError => e
115
- puts "Error when calling DefaultApi->v1_indexes_index_bulk_index_post_with_http_info: #{e}"
116
- end
117
- ```
118
-
119
- ### Parameters
120
-
121
- | Name | Type | Description | Notes |
122
- | ---- | ---- | ----------- | ----- |
123
- | **index** | **String** | | |
124
- | **bulk_request** | [**BulkRequest**](BulkRequest.md) | | |
125
-
126
- ### Return type
127
-
128
- [**PostIndexBulkResponseOk**](PostIndexBulkResponseOk.md)
129
-
130
- ### Authorization
131
-
132
- No authorization required
133
-
134
- ### HTTP request headers
135
-
136
- - **Content-Type**: application/json; charset=utf-8
137
- - **Accept**: application/json; charset=utf-8
138
-
139
-
140
- ## v1_indexes_index_get
141
-
142
- > <IndexSchema> v1_indexes_index_get(index)
143
-
144
- Get extended information about an index
145
-
146
- ### Examples
147
-
148
- ```ruby
149
- require 'time'
150
- require 'cheminee'
151
-
152
- api_instance = Cheminee::DefaultApi.new
153
- index = 'index_example' # String |
154
-
155
- begin
156
- # Get extended information about an index
157
- result = api_instance.v1_indexes_index_get(index)
158
- p result
159
- rescue Cheminee::ApiError => e
160
- puts "Error when calling DefaultApi->v1_indexes_index_get: #{e}"
161
- end
162
- ```
163
-
164
- #### Using the v1_indexes_index_get_with_http_info variant
165
-
166
- This returns an Array which contains the response data, status code and headers.
167
-
168
- > <Array(<IndexSchema>, Integer, Hash)> v1_indexes_index_get_with_http_info(index)
169
-
170
- ```ruby
171
- begin
172
- # Get extended information about an index
173
- data, status_code, headers = api_instance.v1_indexes_index_get_with_http_info(index)
174
- p status_code # => 2xx
175
- p headers # => { ... }
176
- p data # => <IndexSchema>
177
- rescue Cheminee::ApiError => e
178
- puts "Error when calling DefaultApi->v1_indexes_index_get_with_http_info: #{e}"
179
- end
180
- ```
181
-
182
- ### Parameters
183
-
184
- | Name | Type | Description | Notes |
185
- | ---- | ---- | ----------- | ----- |
186
- | **index** | **String** | | |
187
-
188
- ### Return type
189
-
190
- [**IndexSchema**](IndexSchema.md)
191
-
192
- ### Authorization
193
-
194
- No authorization required
195
-
196
- ### HTTP request headers
197
-
198
- - **Content-Type**: Not defined
199
- - **Accept**: application/json; charset=utf-8
200
-
201
-
202
- ## v1_indexes_index_post
203
-
204
- > <IndexMeta> v1_indexes_index_post(index, schema, opts)
205
-
206
- Create an index
207
-
208
- ### Examples
209
-
210
- ```ruby
211
- require 'time'
212
- require 'cheminee'
213
-
214
- api_instance = Cheminee::DefaultApi.new
215
- index = 'index_example' # String |
216
- schema = 'schema_example' # String |
217
- opts = {
218
- sort_by: 'sort_by_example' # String |
219
- }
220
-
221
- begin
222
- # Create an index
223
- result = api_instance.v1_indexes_index_post(index, schema, opts)
224
- p result
225
- rescue Cheminee::ApiError => e
226
- puts "Error when calling DefaultApi->v1_indexes_index_post: #{e}"
227
- end
228
- ```
229
-
230
- #### Using the v1_indexes_index_post_with_http_info variant
231
-
232
- This returns an Array which contains the response data, status code and headers.
233
-
234
- > <Array(<IndexMeta>, Integer, Hash)> v1_indexes_index_post_with_http_info(index, schema, opts)
235
-
236
- ```ruby
237
- begin
238
- # Create an index
239
- data, status_code, headers = api_instance.v1_indexes_index_post_with_http_info(index, schema, opts)
240
- p status_code # => 2xx
241
- p headers # => { ... }
242
- p data # => <IndexMeta>
243
- rescue Cheminee::ApiError => e
244
- puts "Error when calling DefaultApi->v1_indexes_index_post_with_http_info: #{e}"
245
- end
246
- ```
247
-
248
- ### Parameters
249
-
250
- | Name | Type | Description | Notes |
251
- | ---- | ---- | ----------- | ----- |
252
- | **index** | **String** | | |
253
- | **schema** | **String** | | |
254
- | **sort_by** | **String** | | [optional] |
255
-
256
- ### Return type
257
-
258
- [**IndexMeta**](IndexMeta.md)
259
-
260
- ### Authorization
261
-
262
- No authorization required
263
-
264
- ### HTTP request headers
265
-
266
- - **Content-Type**: Not defined
267
- - **Accept**: application/json; charset=utf-8
268
-
269
-
270
- ## v1_indexes_index_search_basic_get
271
-
272
- > <Array<QuerySearchHit>> v1_indexes_index_search_basic_get(index, query, opts)
273
-
274
- Perform basic query search against index
275
-
276
- ### Examples
277
-
278
- ```ruby
279
- require 'time'
280
- require 'cheminee'
281
-
282
- api_instance = Cheminee::DefaultApi.new
283
- index = 'index_example' # String |
284
- query = 'query_example' # String |
285
- opts = {
286
- limit: 56 # Integer |
287
- }
288
-
289
- begin
290
- # Perform basic query search against index
291
- result = api_instance.v1_indexes_index_search_basic_get(index, query, opts)
292
- p result
293
- rescue Cheminee::ApiError => e
294
- puts "Error when calling DefaultApi->v1_indexes_index_search_basic_get: #{e}"
295
- end
296
- ```
297
-
298
- #### Using the v1_indexes_index_search_basic_get_with_http_info variant
299
-
300
- This returns an Array which contains the response data, status code and headers.
301
-
302
- > <Array(<Array<QuerySearchHit>>, Integer, Hash)> v1_indexes_index_search_basic_get_with_http_info(index, query, opts)
303
-
304
- ```ruby
305
- begin
306
- # Perform basic query search against index
307
- data, status_code, headers = api_instance.v1_indexes_index_search_basic_get_with_http_info(index, query, opts)
308
- p status_code # => 2xx
309
- p headers # => { ... }
310
- p data # => <Array<QuerySearchHit>>
311
- rescue Cheminee::ApiError => e
312
- puts "Error when calling DefaultApi->v1_indexes_index_search_basic_get_with_http_info: #{e}"
313
- end
314
- ```
315
-
316
- ### Parameters
317
-
318
- | Name | Type | Description | Notes |
319
- | ---- | ---- | ----------- | ----- |
320
- | **index** | **String** | | |
321
- | **query** | **String** | | |
322
- | **limit** | **Integer** | | [optional] |
323
-
324
- ### Return type
325
-
326
- [**Array&lt;QuerySearchHit&gt;**](QuerySearchHit.md)
327
-
328
- ### Authorization
329
-
330
- No authorization required
331
-
332
- ### HTTP request headers
333
-
334
- - **Content-Type**: Not defined
335
- - **Accept**: application/json; charset=utf-8
336
-
337
-
338
- ## v1_indexes_index_search_substructure_get
339
-
340
- > <Array<StructureSearchHit>> v1_indexes_index_search_substructure_get(index, smiles, opts)
341
-
342
- Perform substructure search against index
343
-
344
- ### Examples
345
-
346
- ```ruby
347
- require 'time'
348
- require 'cheminee'
349
-
350
- api_instance = Cheminee::DefaultApi.new
351
- index = 'index_example' # String |
352
- smiles = 'smiles_example' # String |
353
- opts = {
354
- result_limit: 56, # Integer |
355
- tautomer_limit: 56, # Integer |
356
- extra_query: 'extra_query_example' # String |
357
- }
358
-
359
- begin
360
- # Perform substructure search against index
361
- result = api_instance.v1_indexes_index_search_substructure_get(index, smiles, opts)
362
- p result
363
- rescue Cheminee::ApiError => e
364
- puts "Error when calling DefaultApi->v1_indexes_index_search_substructure_get: #{e}"
365
- end
366
- ```
367
-
368
- #### Using the v1_indexes_index_search_substructure_get_with_http_info variant
369
-
370
- This returns an Array which contains the response data, status code and headers.
371
-
372
- > <Array(<Array<StructureSearchHit>>, Integer, Hash)> v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts)
373
-
374
- ```ruby
375
- begin
376
- # Perform substructure search against index
377
- data, status_code, headers = api_instance.v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts)
378
- p status_code # => 2xx
379
- p headers # => { ... }
380
- p data # => <Array<StructureSearchHit>>
381
- rescue Cheminee::ApiError => e
382
- puts "Error when calling DefaultApi->v1_indexes_index_search_substructure_get_with_http_info: #{e}"
383
- end
384
- ```
385
-
386
- ### Parameters
387
-
388
- | Name | Type | Description | Notes |
389
- | ---- | ---- | ----------- | ----- |
390
- | **index** | **String** | | |
391
- | **smiles** | **String** | | |
392
- | **result_limit** | **Integer** | | [optional] |
393
- | **tautomer_limit** | **Integer** | | [optional] |
394
- | **extra_query** | **String** | | [optional] |
395
-
396
- ### Return type
397
-
398
- [**Array&lt;StructureSearchHit&gt;**](StructureSearchHit.md)
399
-
400
- ### Authorization
401
-
402
- No authorization required
403
-
404
- ### HTTP request headers
405
-
406
- - **Content-Type**: Not defined
407
- - **Accept**: application/json; charset=utf-8
408
-
409
-
410
- ## v1_schemas_get
411
-
412
- > <Array<Schema>> v1_schemas_get
413
-
414
- List schemas available for creating indexes
415
-
416
- ### Examples
417
-
418
- ```ruby
419
- require 'time'
420
- require 'cheminee'
421
-
422
- api_instance = Cheminee::DefaultApi.new
423
-
424
- begin
425
- # List schemas available for creating indexes
426
- result = api_instance.v1_schemas_get
427
- p result
428
- rescue Cheminee::ApiError => e
429
- puts "Error when calling DefaultApi->v1_schemas_get: #{e}"
430
- end
431
- ```
432
-
433
- #### Using the v1_schemas_get_with_http_info variant
434
-
435
- This returns an Array which contains the response data, status code and headers.
436
-
437
- > <Array(<Array<Schema>>, Integer, Hash)> v1_schemas_get_with_http_info
438
-
439
- ```ruby
440
- begin
441
- # List schemas available for creating indexes
442
- data, status_code, headers = api_instance.v1_schemas_get_with_http_info
443
- p status_code # => 2xx
444
- p headers # => { ... }
445
- p data # => <Array<Schema>>
446
- rescue Cheminee::ApiError => e
447
- puts "Error when calling DefaultApi->v1_schemas_get_with_http_info: #{e}"
448
- end
449
- ```
450
-
451
- ### Parameters
452
-
453
- This endpoint does not need any parameter.
454
-
455
- ### Return type
456
-
457
- [**Array&lt;Schema&gt;**](Schema.md)
458
-
459
- ### Authorization
460
-
461
- No authorization required
462
-
463
- ### HTTP request headers
464
-
465
- - **Content-Type**: Not defined
466
- - **Accept**: application/json; charset=utf-8
467
-
468
-
469
- ## v1_standardize_post
470
-
471
- > <Array<StandardizedSmiles>> v1_standardize_post(smiles)
472
-
473
- Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
474
15
 
475
16
  ### Examples
476
17
 
@@ -479,32 +20,32 @@ require 'time'
479
20
  require 'cheminee'
480
21
 
481
22
  api_instance = Cheminee::DefaultApi.new
482
- smiles = [Cheminee::Smiles.new({smiles: 'smiles_example'})] # Array<Smiles> |
23
+ smile = [Cheminee::Smile.new({smile: 'smile_example'})] # Array<Smile> |
483
24
 
484
25
  begin
485
- # Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
486
- result = api_instance.v1_standardize_post(smiles)
26
+
27
+ result = api_instance.standardize_post(smile)
487
28
  p result
488
29
  rescue Cheminee::ApiError => e
489
- puts "Error when calling DefaultApi->v1_standardize_post: #{e}"
30
+ puts "Error when calling DefaultApi->standardize_post: #{e}"
490
31
  end
491
32
  ```
492
33
 
493
- #### Using the v1_standardize_post_with_http_info variant
34
+ #### Using the standardize_post_with_http_info variant
494
35
 
495
36
  This returns an Array which contains the response data, status code and headers.
496
37
 
497
- > <Array(<Array<StandardizedSmiles>>, Integer, Hash)> v1_standardize_post_with_http_info(smiles)
38
+ > <Array(<Array<StandardizedSmile>>, Integer, Hash)> standardize_post_with_http_info(smile)
498
39
 
499
40
  ```ruby
500
41
  begin
501
- # Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
502
- data, status_code, headers = api_instance.v1_standardize_post_with_http_info(smiles)
42
+
43
+ data, status_code, headers = api_instance.standardize_post_with_http_info(smile)
503
44
  p status_code # => 2xx
504
45
  p headers # => { ... }
505
- p data # => <Array<StandardizedSmiles>>
46
+ p data # => <Array<StandardizedSmile>>
506
47
  rescue Cheminee::ApiError => e
507
- puts "Error when calling DefaultApi->v1_standardize_post_with_http_info: #{e}"
48
+ puts "Error when calling DefaultApi->standardize_post_with_http_info: #{e}"
508
49
  end
509
50
  ```
510
51
 
@@ -512,11 +53,11 @@ end
512
53
 
513
54
  | Name | Type | Description | Notes |
514
55
  | ---- | ---- | ----------- | ----- |
515
- | **smiles** | [**Array&lt;Smiles&gt;**](Smiles.md) | | |
56
+ | **smile** | [**Array&lt;Smile&gt;**](Smile.md) | | |
516
57
 
517
58
  ### Return type
518
59
 
519
- [**Array&lt;StandardizedSmiles&gt;**](StandardizedSmiles.md)
60
+ [**Array&lt;StandardizedSmile&gt;**](StandardizedSmile.md)
520
61
 
521
62
  ### Authorization
522
63