cheminee 0.1.12 → 0.1.14

checksums.yaml

@@ -1,7 +1,7 @@
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data/Gemfile.lock

@@ -1,7 +1,7 @@
 PATH
   remote: .
   specs:
-    cheminee (0.1.12)
+    cheminee (0.1.14)
       typhoeus (~> 1.0, >= 1.0.1)
 
 GEM
@@ -16,8 +16,8 @@ GEM
     ffi (1.16.3)
     jaro_winkler (1.5.6)
     method_source (1.0.0)
-    parallel (1.23.0)
-    parser (3.2.2.4)
+    parallel (1.24.0)
+    parser (3.3.0.5)
       ast (~> 2.4.1)
       racc
     pry (0.14.2)
@@ -26,9 +26,9 @@ GEM
     pry-byebug (3.10.1)
       byebug (~> 11.0)
       pry (>= 0.13, < 0.15)
-    psych (5.1.1.1)
+    psych (5.1.2)
       stringio
-    racc (1.7.1)
+    racc (1.7.3)
     rainbow (3.1.1)
     rake (13.0.6)
     rspec (3.12.0)
@@ -53,8 +53,8 @@ GEM
       ruby-progressbar (~> 1.7)
       unicode-display_width (>= 1.4.0, < 1.6)
     ruby-progressbar (1.13.0)
-    stringio (3.0.8)
-    typhoeus (1.4.0)
+    stringio (3.1.0)
+    typhoeus (1.4.1)
       ethon (>= 0.9.0)
     unicode-display_width (1.5.0)
 

data/README.md

@@ -7,7 +7,7 @@ Cheminée: The Chemical Structure Search Engine
 This SDK is automatically generated by the [OpenAPI Generator](https://openapi-generator.tech) project:
 
 - API version: 1.0
-- Package version: 0.1.12
+- Package version: 0.1.14
 - Build package: org.openapitools.codegen.languages.RubyClientCodegen
 For more information, please visit [https://github.com/rdkit-rs/cheminee](https://github.com/rdkit-rs/cheminee)
 
@@ -24,16 +24,16 @@ gem build cheminee.gemspec
 Then either install the gem locally:
 
 ```shell
-gem install ./cheminee-0.1.12.gem
+gem install ./cheminee-0.1.14.gem
 ```
 
-(for development, run `gem install --dev ./cheminee-0.1.12.gem` to install the development dependencies)
+(for development, run `gem install --dev ./cheminee-0.1.14.gem` to install the development dependencies)
 
 or publish the gem to a gem hosting service, e.g. [RubyGems](https://rubygems.org/).
 
 Finally add this to the Gemfile:
 
-    gem 'cheminee', '~> 0.1.12'
+    gem 'cheminee', '~> 0.1.14'
 
 ### Install from Git
 
@@ -79,6 +79,7 @@ Class | Method | HTTP request | Description
 *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
 *Cheminee::DefaultApi* | [**v1_indexes_index_get**](docs/DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} | Get extended information about an index
 *Cheminee::DefaultApi* | [**v1_indexes_index_post**](docs/DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} | Create an index
+*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
 *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
 *Cheminee::DefaultApi* | [**v1_schemas_get**](docs/DefaultApi.md#v1_schemas_get) | **GET** /v1/schemas | List schemas available for creating indexes
 *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
@@ -91,13 +92,16 @@ Class | Method | HTTP request | Description
  - [Cheminee::CreateIndexError](docs/CreateIndexError.md)
  - [Cheminee::GetIndexesResponseError](docs/GetIndexesResponseError.md)
  - [Cheminee::IndexMeta](docs/IndexMeta.md)
+ - [Cheminee::IndexSchema](docs/IndexSchema.md)
  - [Cheminee::ListIndexResponseErr](docs/ListIndexResponseErr.md)
  - [Cheminee::PostIndexBulkResponseError](docs/PostIndexBulkResponseError.md)
  - [Cheminee::PostIndexBulkResponseOk](docs/PostIndexBulkResponseOk.md)
  - [Cheminee::PostIndexBulkResponseOkStatus](docs/PostIndexBulkResponseOkStatus.md)
+ - [Cheminee::QueryResponseError](docs/QueryResponseError.md)
+ - [Cheminee::QuerySearchHit](docs/QuerySearchHit.md)
  - [Cheminee::Schema](docs/Schema.md)
- - [Cheminee::Smile](docs/Smile.md)
- - [Cheminee::StandardizedSmile](docs/StandardizedSmile.md)
+ - [Cheminee::Smiles](docs/Smiles.md)
+ - [Cheminee::StandardizedSmiles](docs/StandardizedSmiles.md)
  - [Cheminee::StructureResponseError](docs/StructureResponseError.md)
  - [Cheminee::StructureSearchHit](docs/StructureSearchHit.md)
 

data/cheminee.gemspec

@@ -8,7 +8,7 @@
 The version of the OpenAPI document: 1.0
 
 Generated by: https://openapi-generator.tech
-OpenAPI Generator version: 7.1.0-SNAPSHOT
+OpenAPI Generator version: 7.3.0-SNAPSHOT
 
 =end
 
@@ -26,6 +26,7 @@ Gem::Specification.new do |s|
   s.description = "Cheminée: The Chemical Structure Search Engine"
   s.license     = "Unlicense"
   s.required_ruby_version = ">= 3.0"
+  s.metadata    = {}
 
   s.add_runtime_dependency 'typhoeus', '~> 1.0', '>= 1.0.1'
 

data/docs/BulkRequestDoc.md

@@ -4,7 +4,7 @@
 
 | Name | Type | Description | Notes |
 | ---- | ---- | ----------- | ----- |
-| **smile** | **String** |  |  |
+| **smiles** | **String** |  |  |
 | **extra_data** | **Object** | This value can store an arbitrary JSON object like '{}' | [optional] |
 
 ## Example
@@ -13,7 +13,7 @@
 require 'cheminee'
 
 instance = Cheminee::BulkRequestDoc.new(
-  smile: null,
+  smiles: null,
   extra_data: null
 )
 ```

data/docs/DefaultApi.md

@@ -8,6 +8,7 @@ All URIs are relative to *http://localhost:3000/api*
 | [**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 |
 | [**v1_indexes_index_get**](DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} | Get extended information about an index |
 | [**v1_indexes_index_post**](DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} | Create an index |
+| [**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 |
 | [**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 |
 | [**v1_schemas_get**](DefaultApi.md#v1_schemas_get) | **GET** /v1/schemas | List schemas available for creating indexes |
 | [**v1_standardize_post**](DefaultApi.md#v1_standardize_post) | **POST** /v1/standardize | Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines |
@@ -86,7 +87,7 @@ require 'cheminee'
 
 api_instance = Cheminee::DefaultApi.new
 index = 'index_example' # String | 
-bulk_request = Cheminee::BulkRequest.new({docs: [Cheminee::BulkRequestDoc.new({smile: 'smile_example'})]}) # BulkRequest | 
+bulk_request = Cheminee::BulkRequest.new({docs: [Cheminee::BulkRequestDoc.new({smiles: 'smiles_example'})]}) # BulkRequest | 
 
 begin
   # Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
@@ -138,7 +139,7 @@ No authorization required
 
 ## v1_indexes_index_get
 
-> <Array<IndexMeta>> v1_indexes_index_get(index)
+> <IndexSchema> v1_indexes_index_get(index)
 
 Get extended information about an index
 
@@ -164,7 +165,7 @@ end
 
 This returns an Array which contains the response data, status code and headers.
 
-> <Array(<Array<IndexMeta>>, Integer, Hash)> v1_indexes_index_get_with_http_info(index)
+> <Array(<IndexSchema>, Integer, Hash)> v1_indexes_index_get_with_http_info(index)
 
 ```ruby
 begin
@@ -172,7 +173,7 @@ begin
   data, status_code, headers = api_instance.v1_indexes_index_get_with_http_info(index)
   p status_code # => 2xx
   p headers # => { ... }
-  p data # => <Array<IndexMeta>>
+  p data # => <IndexSchema>
 rescue Cheminee::ApiError => e
   puts "Error when calling DefaultApi->v1_indexes_index_get_with_http_info: #{e}"
 end
@@ -186,7 +187,7 @@ end
 
 ### Return type
 
-[**Array&lt;IndexMeta&gt;**](IndexMeta.md)
+[**IndexSchema**](IndexSchema.md)
 
 ### Authorization
 
@@ -266,9 +267,77 @@ No authorization required
 - **Accept**: application/json; charset=utf-8
 
 
+## v1_indexes_index_search_basic_get
+
+> <Array<QuerySearchHit>> v1_indexes_index_search_basic_get(index, query, opts)
+
+Perform basic query search against index
+
+### Examples
+
+```ruby
+require 'time'
+require 'cheminee'
+
+api_instance = Cheminee::DefaultApi.new
+index = 'index_example' # String | 
+query = 'query_example' # String | 
+opts = {
+  limit: 56 # Integer | 
+}
+
+begin
+  # Perform basic query search against index
+  result = api_instance.v1_indexes_index_search_basic_get(index, query, opts)
+  p result
+rescue Cheminee::ApiError => e
+  puts "Error when calling DefaultApi->v1_indexes_index_search_basic_get: #{e}"
+end
+```
+
+#### Using the v1_indexes_index_search_basic_get_with_http_info variant
+
+This returns an Array which contains the response data, status code and headers.
+
+> <Array(<Array<QuerySearchHit>>, Integer, Hash)> v1_indexes_index_search_basic_get_with_http_info(index, query, opts)
+
+```ruby
+begin
+  # Perform basic query search against index
+  data, status_code, headers = api_instance.v1_indexes_index_search_basic_get_with_http_info(index, query, opts)
+  p status_code # => 2xx
+  p headers # => { ... }
+  p data # => <Array<QuerySearchHit>>
+rescue Cheminee::ApiError => e
+  puts "Error when calling DefaultApi->v1_indexes_index_search_basic_get_with_http_info: #{e}"
+end
+```
+
+### Parameters
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **index** | **String** |  |  |
+| **query** | **String** |  |  |
+| **limit** | **Integer** |  | [optional] |
+
+### Return type
+
+[**Array&lt;QuerySearchHit&gt;**](QuerySearchHit.md)
+
+### Authorization
+
+No authorization required
+
+### HTTP request headers
+
+- **Content-Type**: Not defined
+- **Accept**: application/json; charset=utf-8
+
+
 ## v1_indexes_index_search_substructure_get
 
-> <Array<StructureSearchHit>> v1_indexes_index_search_substructure_get(index, smile, opts)
+> <Array<StructureSearchHit>> v1_indexes_index_search_substructure_get(index, smiles, opts)
 
 Perform substructure search against index
 
@@ -280,15 +349,16 @@ require 'cheminee'
 
 api_instance = Cheminee::DefaultApi.new
 index = 'index_example' # String | 
-smile = 'smile_example' # String | 
+smiles = 'smiles_example' # String | 
 opts = {
   result_limit: 56, # Integer | 
-  tautomer_limit: 56 # Integer | 
+  tautomer_limit: 56, # Integer | 
+  extra_query: 'extra_query_example' # String | 
 }
 
 begin
   # Perform substructure search against index
-  result = api_instance.v1_indexes_index_search_substructure_get(index, smile, opts)
+  result = api_instance.v1_indexes_index_search_substructure_get(index, smiles, opts)
   p result
 rescue Cheminee::ApiError => e
   puts "Error when calling DefaultApi->v1_indexes_index_search_substructure_get: #{e}"
@@ -299,12 +369,12 @@ end
 
 This returns an Array which contains the response data, status code and headers.
 
-> <Array(<Array<StructureSearchHit>>, Integer, Hash)> v1_indexes_index_search_substructure_get_with_http_info(index, smile, opts)
+> <Array(<Array<StructureSearchHit>>, Integer, Hash)> v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts)
 
 ```ruby
 begin
   # Perform substructure search against index
-  data, status_code, headers = api_instance.v1_indexes_index_search_substructure_get_with_http_info(index, smile, opts)
+  data, status_code, headers = api_instance.v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts)
   p status_code # => 2xx
   p headers # => { ... }
   p data # => <Array<StructureSearchHit>>
@@ -318,9 +388,10 @@ end
 | Name | Type | Description | Notes |
 | ---- | ---- | ----------- | ----- |
 | **index** | **String** |  |  |
-| **smile** | **String** |  |  |
+| **smiles** | **String** |  |  |
 | **result_limit** | **Integer** |  | [optional] |
 | **tautomer_limit** | **Integer** |  | [optional] |
+| **extra_query** | **String** |  | [optional] |
 
 ### Return type
 
@@ -397,7 +468,7 @@ No authorization required
 
 ## v1_standardize_post
 
-> <Array<StandardizedSmile>> v1_standardize_post(smile)
+> <Array<StandardizedSmiles>> v1_standardize_post(smiles)
 
 Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
 
@@ -408,11 +479,11 @@ require 'time'
 require 'cheminee'
 
 api_instance = Cheminee::DefaultApi.new
-smile = [Cheminee::Smile.new({smile: 'smile_example'})] # Array<Smile> | 
+smiles = [Cheminee::Smiles.new({smiles: 'smiles_example'})] # Array<Smiles> | 
 
 begin
   # Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
-  result = api_instance.v1_standardize_post(smile)
+  result = api_instance.v1_standardize_post(smiles)
   p result
 rescue Cheminee::ApiError => e
   puts "Error when calling DefaultApi->v1_standardize_post: #{e}"
@@ -423,15 +494,15 @@ end
 
 This returns an Array which contains the response data, status code and headers.
 
-> <Array(<Array<StandardizedSmile>>, Integer, Hash)> v1_standardize_post_with_http_info(smile)
+> <Array(<Array<StandardizedSmiles>>, Integer, Hash)> v1_standardize_post_with_http_info(smiles)
 
 ```ruby
 begin
   # Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
-  data, status_code, headers = api_instance.v1_standardize_post_with_http_info(smile)
+  data, status_code, headers = api_instance.v1_standardize_post_with_http_info(smiles)
   p status_code # => 2xx
   p headers # => { ... }
-  p data # => <Array<StandardizedSmile>>
+  p data # => <Array<StandardizedSmiles>>
 rescue Cheminee::ApiError => e
   puts "Error when calling DefaultApi->v1_standardize_post_with_http_info: #{e}"
 end
@@ -441,11 +512,11 @@ end
 
 | Name | Type | Description | Notes |
 | ---- | ---- | ----------- | ----- |
-| **smile** | [**Array&lt;Smile&gt;**](Smile.md) |  |  |
+| **smiles** | [**Array&lt;Smiles&gt;**](Smiles.md) |  |  |
 
 ### Return type
 
-[**Array&lt;StandardizedSmile&gt;**](StandardizedSmile.md)
+[**Array&lt;StandardizedSmiles&gt;**](StandardizedSmiles.md)
 
 ### Authorization
 

data/docs/IndexSchema.md

@@ -0,0 +1,20 @@
+# Cheminee::IndexSchema
+
+## Properties
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **index** | **String** |  |  |
+| **schema** | **Object** |  |  |
+
+## Example
+
+```ruby
+require 'cheminee'
+
+instance = Cheminee::IndexSchema.new(
+  index: null,
+  schema: null
+)
+```
+

data/docs/QueryResponseError.md

@@ -0,0 +1,18 @@
+# Cheminee::QueryResponseError
+
+## Properties
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **error** | **String** |  |  |
+
+## Example
+
+```ruby
+require 'cheminee'
+
+instance = Cheminee::QueryResponseError.new(
+  error: null
+)
+```
+

data/docs/QuerySearchHit.md

@@ -0,0 +1,22 @@
+# Cheminee::QuerySearchHit
+
+## Properties
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **extra_data** | **Object** |  |  |
+| **smiles** | **String** |  |  |
+| **query** | **String** |  |  |
+
+## Example
+
+```ruby
+require 'cheminee'
+
+instance = Cheminee::QuerySearchHit.new(
+  extra_data: null,
+  smiles: null,
+  query: null
+)
+```
+

data/docs/Smiles.md

@@ -0,0 +1,18 @@
+# Cheminee::Smiles
+
+## Properties
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **smiles** | **String** |  |  |
+
+## Example
+
+```ruby
+require 'cheminee'
+
+instance = Cheminee::Smiles.new(
+  smiles: null
+)
+```
+

data/docs/StandardizedSmiles.md

@@ -0,0 +1,20 @@
+# Cheminee::StandardizedSmiles
+
+## Properties
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **smiles** | **String** |  | [optional] |
+| **error** | **String** |  | [optional] |
+
+## Example
+
+```ruby
+require 'cheminee'
+
+instance = Cheminee::StandardizedSmiles.new(
+  smiles: null,
+  error: null
+)
+```
+