cheminee 0.0.15 → 0.1.5
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.
- checksums.yaml +4 -4
- data/Gemfile.lock +4 -4
- data/README.md +19 -9
- data/cheminee.gemspec +1 -1
- data/docs/CreateIndexError.md +18 -0
- data/docs/DefaultApi.md +327 -10
- data/docs/GetIndexesResponseError.md +18 -0
- data/docs/IndexMeta.md +20 -0
- data/docs/ListIndexResponseErr.md +18 -0
- data/docs/Schema.md +20 -0
- data/docs/SubstructureSearchHit.md +24 -0
- data/lib/cheminee/api/default_api.rb +309 -9
- data/lib/cheminee/api_client.rb +3 -2
- data/lib/cheminee/api_error.rb +1 -1
- data/lib/cheminee/configuration.rb +6 -5
- data/lib/cheminee/models/create_index_error.rb +221 -0
- data/lib/cheminee/models/get_indexes_response_error.rb +221 -0
- data/lib/cheminee/models/index_meta.rb +237 -0
- data/lib/cheminee/models/list_index_response_err.rb +221 -0
- data/lib/cheminee/models/schema.rb +233 -0
- data/lib/cheminee/models/smile.rb +1 -1
- data/lib/cheminee/models/standardized_smile.rb +1 -1
- data/lib/cheminee/models/substructure_search_hit.rb +265 -0
- data/lib/cheminee/version.rb +2 -2
- data/lib/cheminee.rb +7 -1
- data/pkg/cheminee-0.1.5.gem +0 -0
- data/spec/api_client_spec.rb +1 -1
- data/spec/configuration_spec.rb +4 -4
- data/spec/models/create_index_error_spec.rb +36 -0
- data/spec/models/get_indexes_response_error_spec.rb +36 -0
- data/spec/models/index_meta_spec.rb +42 -0
- data/spec/models/list_index_response_err_spec.rb +36 -0
- data/spec/models/schema_spec.rb +42 -0
- data/spec/models/substructure_search_hit_spec.rb +54 -0
- data/spec/spec_helper.rb +1 -1
- metadata +27 -3
- data/pkg/cheminee-0.0.15.gem +0 -0
checksums.yaml
CHANGED
@@ -1,7 +1,7 @@
|
|
1
1
|
---
|
2
2
|
SHA256:
|
3
|
-
metadata.gz:
|
4
|
-
data.tar.gz:
|
3
|
+
metadata.gz: 69f9d4856f7f3d4f693aa9affb128fc80a79870f2a7ef0125ab5629ecc31a104
|
4
|
+
data.tar.gz: 9a33b5e2cbb5f8e8f6793d7f83db0c88b245f376f062404fec10eff4363dbba6
|
5
5
|
SHA512:
|
6
|
-
metadata.gz:
|
7
|
-
data.tar.gz:
|
6
|
+
metadata.gz: 99e125d536f7bbda6e0242d20ba225284d5a9abb3aa0f8edad28a6d42ff9e88086785bd54e3deaed2d4393860079fac1f1b960350f9f063c9c50d15343447b38
|
7
|
+
data.tar.gz: dd107d62aef25c62a8664e7b9ea8843af3d49955e67e71efcedaa1106e4401379c2975f2a6e90d87727ea9a40e775ab5dc712ed05d8c6f89389b156afa77080b
|
data/Gemfile.lock
CHANGED
@@ -1,7 +1,7 @@
|
|
1
1
|
PATH
|
2
2
|
remote: .
|
3
3
|
specs:
|
4
|
-
cheminee (0.
|
4
|
+
cheminee (0.1.5)
|
5
5
|
typhoeus (~> 1.0, >= 1.0.1)
|
6
6
|
|
7
7
|
GEM
|
@@ -13,11 +13,11 @@ GEM
|
|
13
13
|
diff-lcs (1.5.0)
|
14
14
|
ethon (0.16.0)
|
15
15
|
ffi (>= 1.15.0)
|
16
|
-
ffi (1.
|
16
|
+
ffi (1.16.3)
|
17
17
|
jaro_winkler (1.5.6)
|
18
18
|
method_source (1.0.0)
|
19
19
|
parallel (1.23.0)
|
20
|
-
parser (3.2.2.
|
20
|
+
parser (3.2.2.4)
|
21
21
|
ast (~> 2.4.1)
|
22
22
|
racc
|
23
23
|
pry (0.14.2)
|
@@ -26,7 +26,7 @@ GEM
|
|
26
26
|
pry-byebug (3.10.1)
|
27
27
|
byebug (~> 11.0)
|
28
28
|
pry (>= 0.13, < 0.15)
|
29
|
-
psych (5.1.
|
29
|
+
psych (5.1.1.1)
|
30
30
|
stringio
|
31
31
|
racc (1.7.1)
|
32
32
|
rainbow (3.1.1)
|
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:
|
8
8
|
|
9
9
|
- API version: 1.0
|
10
|
-
- Package version: 0.
|
10
|
+
- Package version: 0.1.5
|
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)
|
13
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.
|
27
|
+
gem install ./cheminee-0.1.5.gem
|
28
28
|
```
|
29
29
|
|
30
|
-
(for development, run `gem install --dev ./cheminee-0.
|
30
|
+
(for development, run `gem install --dev ./cheminee-0.1.5.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.
|
36
|
+
gem 'cheminee', '~> 0.1.5'
|
37
37
|
|
38
38
|
### Install from Git
|
39
39
|
|
@@ -58,30 +58,40 @@ 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> |
|
62
61
|
|
63
62
|
begin
|
64
|
-
result = api_instance.
|
63
|
+
result = api_instance.v1_indexes_get
|
65
64
|
p result
|
66
65
|
rescue Cheminee::ApiError => e
|
67
|
-
puts "Exception when calling DefaultApi->
|
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
|
73
|
+
All URIs are relative to *http://localhost:3000/api*
|
75
74
|
|
76
75
|
Class | Method | HTTP request | Description
|
77
76
|
------------ | ------------- | ------------- | -------------
|
78
|
-
*Cheminee::DefaultApi* | [**
|
77
|
+
*Cheminee::DefaultApi* | [**v1_indexes_get**](docs/DefaultApi.md#v1_indexes_get) | **GET** /v1/indexes |
|
78
|
+
*Cheminee::DefaultApi* | [**v1_indexes_index_get**](docs/DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} |
|
79
|
+
*Cheminee::DefaultApi* | [**v1_indexes_index_post**](docs/DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} |
|
80
|
+
*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 |
|
82
|
+
*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
@@ -0,0 +1,18 @@
|
|
1
|
+
# Cheminee::CreateIndexError
|
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::CreateIndexError.new(
|
15
|
+
error: null
|
16
|
+
)
|
17
|
+
```
|
18
|
+
|
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
|
3
|
+
All URIs are relative to *http://localhost:3000/api*
|
4
4
|
|
5
5
|
| Method | HTTP request | Description |
|
6
6
|
| ------ | ------------ | ----------- |
|
7
|
-
| [**
|
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} | |
|
9
|
+
| [**v1_indexes_index_post**](DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} | |
|
10
|
+
| [**v1_indexes_index_search_substructure_get**](DefaultApi.md#v1_indexes_index_search_substructure_get) | **GET** /v1/indexes/{index}/search/substructure | |
|
11
|
+
| [**v1_schemas_get**](DefaultApi.md#v1_schemas_get) | **GET** /v1/schemas | |
|
12
|
+
| [**v1_standardize_post**](DefaultApi.md#v1_standardize_post) | **POST** /v1/standardize | |
|
8
13
|
|
9
14
|
|
10
|
-
##
|
15
|
+
## v1_indexes_get
|
11
16
|
|
12
|
-
> <Array<
|
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<IndexMeta>**](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<IndexMeta>**](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<SubstructureSearchHit>**](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<Schema>**](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.
|
344
|
+
result = api_instance.v1_standardize_post(smile)
|
28
345
|
p result
|
29
346
|
rescue Cheminee::ApiError => e
|
30
|
-
puts "Error when calling DefaultApi->
|
347
|
+
puts "Error when calling DefaultApi->v1_standardize_post: #{e}"
|
31
348
|
end
|
32
349
|
```
|
33
350
|
|
34
|
-
#### Using the
|
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)>
|
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.
|
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->
|
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
|
+
|