cheminee 0.1.6 → 0.1.8
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- checksums.yaml +4 -4
- data/Gemfile.lock +1 -1
- data/README.md +12 -11
- data/docs/BulkRequestDoc.md +1 -1
- data/docs/DefaultApi.md +28 -28
- data/lib/cheminee/api/default_api.rb +14 -0
- data/lib/cheminee/models/bulk_request_doc.rb +1 -0
- data/lib/cheminee/version.rb +1 -1
- data/pkg/cheminee-0.1.8.gem +0 -0
- metadata +3 -3
- data/pkg/cheminee-0.1.6.gem +0 -0
checksums.yaml
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@@ -1,7 +1,7 @@
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---
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SHA256:
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metadata.gz:
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data.tar.gz:
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metadata.gz: ee0ceb36fe435237396b9dc8715486cbfcdcd3ddfc86e61ea70a6b5b5598d105
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data.tar.gz: 327b45c0faa2ac0ddf207a8a680a0c2de69cf743c0e885a81f5ff686cddfde1f
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SHA512:
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metadata.gz:
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data.tar.gz:
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metadata.gz: 8e7e699fdb06758c141f942e251921795e920fc99e5592769dc402fe7c23ea1dcd10c84ef0e18af957ccb0acaa500988db53d5cb6b30ea41605ae41741e407b8
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data.tar.gz: b16a1d7f4c208a1989d2a54668fbf0a8e75d354e074dfe24d9e5368f4397a42bfb59924cdee75f4ae1bd3a3d42aededdec58c3baf514e7746a328a83a73d2fd5
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data/Gemfile.lock
CHANGED
data/README.md
CHANGED
@@ -7,7 +7,7 @@ Cheminée: The Chemical Structure Search Engine
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This SDK is automatically generated by the [OpenAPI Generator](https://openapi-generator.tech) project:
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- API version: 1.0
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- Package version: 0.1.
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- Package version: 0.1.8
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- Build package: org.openapitools.codegen.languages.RubyClientCodegen
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For more information, please visit [https://github.com/rdkit-rs/cheminee](https://github.com/rdkit-rs/cheminee)
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@@ -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-0.1.
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gem install ./cheminee-0.1.8.gem
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```
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(for development, run `gem install --dev ./cheminee-0.1.
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(for development, run `gem install --dev ./cheminee-0.1.8.gem` to install the development dependencies)
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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', '~> 0.1.
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gem 'cheminee', '~> 0.1.8'
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### Install from Git
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@@ -60,6 +60,7 @@ require 'cheminee'
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api_instance = Cheminee::DefaultApi.new
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begin
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#List indexes
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result = api_instance.v1_indexes_get
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p result
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rescue Cheminee::ApiError => e
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Class | Method | HTTP request | Description
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------------ | ------------- | ------------- | -------------
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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_bulk_index_post**](docs/DefaultApi.md#v1_indexes_index_bulk_index_post) | **POST** /v1/indexes/{index}/bulk_index |
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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 |
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*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 |
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*Cheminee::DefaultApi* | [**v1_indexes_get**](docs/DefaultApi.md#v1_indexes_get) | **GET** /v1/indexes | List indexes
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*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
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*Cheminee::DefaultApi* | [**v1_indexes_index_get**](docs/DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} | Get extended information about an index
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*Cheminee::DefaultApi* | [**v1_indexes_index_post**](docs/DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} | Create an 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 | Perform substructure search against index
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*Cheminee::DefaultApi* | [**v1_schemas_get**](docs/DefaultApi.md#v1_schemas_get) | **GET** /v1/schemas | List schemas available for creating indexes
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*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
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## Documentation for Models
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **smile** | **String** | | |
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| **extra_data** | **Object** |
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| **extra_data** | **Object** | This value can store an arbitrary JSON object like '{}' | [optional] |
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## Example
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data/docs/DefaultApi.md
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| Method | HTTP request | Description |
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| ------ | ------------ | ----------- |
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| [**v1_indexes_get**](DefaultApi.md#v1_indexes_get) | **GET** /v1/indexes |
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| [**v1_indexes_index_bulk_index_post**](DefaultApi.md#v1_indexes_index_bulk_index_post) | **POST** /v1/indexes/{index}/bulk_index |
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| [**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 |
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| [**v1_indexes_get**](DefaultApi.md#v1_indexes_get) | **GET** /v1/indexes | List indexes |
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| [**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 |
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| [**v1_indexes_index_get**](DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} | Get extended information about an index |
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| [**v1_indexes_index_post**](DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} | Create an 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 | Perform substructure search against index |
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| [**v1_schemas_get**](DefaultApi.md#v1_schemas_get) | **GET** /v1/schemas | List schemas available for creating indexes |
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| [**v1_standardize_post**](DefaultApi.md#v1_standardize_post) | **POST** /v1/standardize | Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines |
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## v1_indexes_get
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> <Array<IndexMeta>> v1_indexes_get
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List indexes
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### Examples
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api_instance = Cheminee::DefaultApi.new
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begin
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-
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# List indexes
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result = api_instance.v1_indexes_get
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p result
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rescue Cheminee::ApiError => e
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```ruby
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begin
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-
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# List indexes
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data, status_code, headers = api_instance.v1_indexes_get_with_http_info
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p status_code # => 2xx
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p headers # => { ... }
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> <PostIndexBulkResponseOk> v1_indexes_index_bulk_index_post(index, bulk_request)
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Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
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### Examples
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bulk_request = Cheminee::BulkRequest.new({docs: [Cheminee::BulkRequestDoc.new({smile: 'smile_example'})]}) # BulkRequest |
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begin
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-
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# Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
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result = api_instance.v1_indexes_index_bulk_index_post(index, bulk_request)
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p result
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rescue Cheminee::ApiError => e
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```ruby
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begin
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# Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
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data, status_code, headers = api_instance.v1_indexes_index_bulk_index_post_with_http_info(index, bulk_request)
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p status_code # => 2xx
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p headers # => { ... }
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> <Array<IndexMeta>> v1_indexes_index_get(index)
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Get extended information about an index
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### Examples
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index = 'index_example' # String |
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begin
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# Get extended information about an index
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result = api_instance.v1_indexes_index_get(index)
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p result
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rescue Cheminee::ApiError => e
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```ruby
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begin
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-
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# Get extended information about an index
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data, status_code, headers = api_instance.v1_indexes_index_get_with_http_info(index)
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p status_code # => 2xx
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p headers # => { ... }
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> <IndexMeta> v1_indexes_index_post(index, schema, opts)
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-
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Create an index
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### Examples
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}
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begin
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# Create an index
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result = api_instance.v1_indexes_index_post(index, schema, opts)
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p result
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rescue Cheminee::ApiError => e
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```ruby
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begin
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# Create an index
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data, status_code, headers = api_instance.v1_indexes_index_post_with_http_info(index, schema, opts)
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p status_code # => 2xx
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p headers # => { ... }
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> <Array<SubstructureSearchHit>> v1_indexes_index_search_substructure_get(index, q)
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Perform substructure search against index
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### Examples
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q = 'q_example' # String |
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begin
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# Perform substructure search against index
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result = api_instance.v1_indexes_index_search_substructure_get(index, q)
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p result
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rescue Cheminee::ApiError => e
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```ruby
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begin
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# Perform substructure search against index
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data, status_code, headers = api_instance.v1_indexes_index_search_substructure_get_with_http_info(index, q)
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p status_code # => 2xx
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p headers # => { ... }
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> <Array<Schema>> v1_schemas_get
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-
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List schemas available for creating indexes
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### Examples
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@@ -345,7 +345,7 @@ require 'cheminee'
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api_instance = Cheminee::DefaultApi.new
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begin
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-
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# List schemas available for creating indexes
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result = api_instance.v1_schemas_get
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p result
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rescue Cheminee::ApiError => e
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```ruby
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begin
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-
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# List schemas available for creating indexes
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data, status_code, headers = api_instance.v1_schemas_get_with_http_info
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p status_code # => 2xx
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p headers # => { ... }
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@@ -393,7 +393,7 @@ No authorization required
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> <Array<StandardizedSmile>> v1_standardize_post(smile)
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-
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Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
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### Examples
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@@ -405,7 +405,7 @@ api_instance = Cheminee::DefaultApi.new
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smile = [Cheminee::Smile.new({smile: 'smile_example'})] # Array<Smile> |
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begin
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-
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# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
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result = api_instance.v1_standardize_post(smile)
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p result
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rescue Cheminee::ApiError => e
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@@ -421,7 +421,7 @@ This returns an Array which contains the response data, status code and headers.
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```ruby
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begin
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-
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# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
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data, status_code, headers = api_instance.v1_standardize_post_with_http_info(smile)
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p status_code # => 2xx
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p headers # => { ... }
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@@ -19,6 +19,7 @@ module Cheminee
|
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def initialize(api_client = ApiClient.default)
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@api_client = api_client
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end
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# List indexes
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# @param [Hash] opts the optional parameters
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# @return [Array<IndexMeta>]
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def v1_indexes_get(opts = {})
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@@ -26,6 +27,7 @@ module Cheminee
|
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data
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end
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# List indexes
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# @param [Hash] opts the optional parameters
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# @return [Array<(Array<IndexMeta>, Integer, Hash)>] Array<IndexMeta> data, response status code and response headers
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def v1_indexes_get_with_http_info(opts = {})
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@@ -72,6 +74,7 @@ module Cheminee
|
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return data, status_code, headers
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end
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+
# Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
|
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# @param index [String]
|
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# @param bulk_request [BulkRequest]
|
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80
|
# @param [Hash] opts the optional parameters
|
@@ -81,6 +84,7 @@ module Cheminee
|
|
81
84
|
data
|
82
85
|
end
|
83
86
|
|
87
|
+
# Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
|
84
88
|
# @param index [String]
|
85
89
|
# @param bulk_request [BulkRequest]
|
86
90
|
# @param [Hash] opts the optional parameters
|
@@ -142,6 +146,7 @@ module Cheminee
|
|
142
146
|
return data, status_code, headers
|
143
147
|
end
|
144
148
|
|
149
|
+
# Get extended information about an index
|
145
150
|
# @param index [String]
|
146
151
|
# @param [Hash] opts the optional parameters
|
147
152
|
# @return [Array<IndexMeta>]
|
@@ -150,6 +155,7 @@ module Cheminee
|
|
150
155
|
data
|
151
156
|
end
|
152
157
|
|
158
|
+
# Get extended information about an index
|
153
159
|
# @param index [String]
|
154
160
|
# @param [Hash] opts the optional parameters
|
155
161
|
# @return [Array<(Array<IndexMeta>, Integer, Hash)>] Array<IndexMeta> data, response status code and response headers
|
@@ -201,6 +207,7 @@ module Cheminee
|
|
201
207
|
return data, status_code, headers
|
202
208
|
end
|
203
209
|
|
210
|
+
# Create an index
|
204
211
|
# @param index [String]
|
205
212
|
# @param schema [String]
|
206
213
|
# @param [Hash] opts the optional parameters
|
@@ -211,6 +218,7 @@ module Cheminee
|
|
211
218
|
data
|
212
219
|
end
|
213
220
|
|
221
|
+
# Create an index
|
214
222
|
# @param index [String]
|
215
223
|
# @param schema [String]
|
216
224
|
# @param [Hash] opts the optional parameters
|
@@ -270,6 +278,7 @@ module Cheminee
|
|
270
278
|
return data, status_code, headers
|
271
279
|
end
|
272
280
|
|
281
|
+
# Perform substructure search against index
|
273
282
|
# @param index [String]
|
274
283
|
# @param q [String]
|
275
284
|
# @param [Hash] opts the optional parameters
|
@@ -279,6 +288,7 @@ module Cheminee
|
|
279
288
|
data
|
280
289
|
end
|
281
290
|
|
291
|
+
# Perform substructure search against index
|
282
292
|
# @param index [String]
|
283
293
|
# @param q [String]
|
284
294
|
# @param [Hash] opts the optional parameters
|
@@ -336,6 +346,7 @@ module Cheminee
|
|
336
346
|
return data, status_code, headers
|
337
347
|
end
|
338
348
|
|
349
|
+
# List schemas available for creating indexes
|
339
350
|
# @param [Hash] opts the optional parameters
|
340
351
|
# @return [Array<Schema>]
|
341
352
|
def v1_schemas_get(opts = {})
|
@@ -343,6 +354,7 @@ module Cheminee
|
|
343
354
|
data
|
344
355
|
end
|
345
356
|
|
357
|
+
# List schemas available for creating indexes
|
346
358
|
# @param [Hash] opts the optional parameters
|
347
359
|
# @return [Array<(Array<Schema>, Integer, Hash)>] Array<Schema> data, response status code and response headers
|
348
360
|
def v1_schemas_get_with_http_info(opts = {})
|
@@ -389,6 +401,7 @@ module Cheminee
|
|
389
401
|
return data, status_code, headers
|
390
402
|
end
|
391
403
|
|
404
|
+
# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
|
392
405
|
# @param smile [Array<Smile>]
|
393
406
|
# @param [Hash] opts the optional parameters
|
394
407
|
# @return [Array<StandardizedSmile>]
|
@@ -397,6 +410,7 @@ module Cheminee
|
|
397
410
|
data
|
398
411
|
end
|
399
412
|
|
413
|
+
# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
|
400
414
|
# @param smile [Array<Smile>]
|
401
415
|
# @param [Hash] opts the optional parameters
|
402
416
|
# @return [Array<(Array<StandardizedSmile>, Integer, Hash)>] Array<StandardizedSmile> data, response status code and response headers
|
data/lib/cheminee/version.rb
CHANGED
Binary file
|
metadata
CHANGED
@@ -1,14 +1,14 @@
|
|
1
1
|
--- !ruby/object:Gem::Specification
|
2
2
|
name: cheminee
|
3
3
|
version: !ruby/object:Gem::Version
|
4
|
-
version: 0.1.
|
4
|
+
version: 0.1.8
|
5
5
|
platform: ruby
|
6
6
|
authors:
|
7
7
|
- Xavier Lange
|
8
8
|
autorequire:
|
9
9
|
bindir: bin
|
10
10
|
cert_chain: []
|
11
|
-
date: 2023-10-
|
11
|
+
date: 2023-10-19 00:00:00.000000000 Z
|
12
12
|
dependencies:
|
13
13
|
- !ruby/object:Gem::Dependency
|
14
14
|
name: typhoeus
|
@@ -98,7 +98,7 @@ files:
|
|
98
98
|
- lib/cheminee/version.rb
|
99
99
|
- openapi-generator-config.json
|
100
100
|
- openapi.json
|
101
|
-
- pkg/cheminee-0.1.
|
101
|
+
- pkg/cheminee-0.1.8.gem
|
102
102
|
- spec/api/default_api_spec.rb
|
103
103
|
- spec/api_client_spec.rb
|
104
104
|
- spec/configuration_spec.rb
|
data/pkg/cheminee-0.1.6.gem
DELETED
Binary file
|