cheminee 0.0.15 → 0.1.5
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- 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
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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: 69f9d4856f7f3d4f693aa9affb128fc80a79870f2a7ef0125ab5629ecc31a104
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data.tar.gz: 9a33b5e2cbb5f8e8f6793d7f83db0c88b245f376f062404fec10eff4363dbba6
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SHA512:
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metadata.gz:
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data.tar.gz:
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metadata.gz: 99e125d536f7bbda6e0242d20ba225284d5a9abb3aa0f8edad28a6d42ff9e88086785bd54e3deaed2d4393860079fac1f1b960350f9f063c9c50d15343447b38
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data.tar.gz: dd107d62aef25c62a8664e7b9ea8843af3d49955e67e71efcedaa1106e4401379c2975f2a6e90d87727ea9a40e775ab5dc712ed05d8c6f89389b156afa77080b
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data/Gemfile.lock
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PATH
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remote: .
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specs:
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cheminee (0.
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cheminee (0.1.5)
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typhoeus (~> 1.0, >= 1.0.1)
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GEM
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diff-lcs (1.5.0)
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ethon (0.16.0)
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ffi (>= 1.15.0)
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ffi (1.
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ffi (1.16.3)
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jaro_winkler (1.5.6)
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method_source (1.0.0)
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parallel (1.23.0)
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parser (3.2.2.
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parser (3.2.2.4)
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ast (~> 2.4.1)
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racc
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pry (0.14.2)
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pry-byebug (3.10.1)
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byebug (~> 11.0)
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pry (>= 0.13, < 0.15)
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psych (5.1.
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psych (5.1.1.1)
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stringio
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racc (1.7.1)
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rainbow (3.1.1)
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data/README.md
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@@ -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.
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- Package version: 0.1.5
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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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Then either install the gem locally:
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```shell
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gem install ./cheminee-0.
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gem install ./cheminee-0.1.5.gem
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```
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(for development, run `gem install --dev ./cheminee-0.
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(for development, run `gem install --dev ./cheminee-0.1.5.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.
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gem 'cheminee', '~> 0.1.5'
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### Install from Git
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@@ -58,30 +58,40 @@ Please follow the [installation](#installation) procedure and then run the follo
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require 'cheminee'
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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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result = api_instance.
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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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puts "Exception when calling DefaultApi->
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puts "Exception when calling DefaultApi->v1_indexes_get: #{e}"
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end
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```
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## Documentation for API Endpoints
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All URIs are relative to *http://localhost:3000/api
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All URIs are relative to *http://localhost:3000/api*
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Class | Method | HTTP request | Description
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------------ | ------------- | ------------- | -------------
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*Cheminee::DefaultApi* | [**
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*Cheminee::DefaultApi* | [**v1_indexes_get**](docs/DefaultApi.md#v1_indexes_get) | **GET** /v1/indexes |
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*Cheminee::DefaultApi* | [**v1_indexes_index_get**](docs/DefaultApi.md#v1_indexes_index_get) | **GET** /v1/indexes/{index} |
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*Cheminee::DefaultApi* | [**v1_indexes_index_post**](docs/DefaultApi.md#v1_indexes_index_post) | **POST** /v1/indexes/{index} |
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*Cheminee::DefaultApi* | [**v1_indexes_index_search_substructure_get**](docs/DefaultApi.md#v1_indexes_index_search_substructure_get) | **GET** /v1/indexes/{index}/search/substructure |
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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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## Documentation for Models
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- [Cheminee::CreateIndexError](docs/CreateIndexError.md)
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- [Cheminee::GetIndexesResponseError](docs/GetIndexesResponseError.md)
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- [Cheminee::IndexMeta](docs/IndexMeta.md)
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- [Cheminee::ListIndexResponseErr](docs/ListIndexResponseErr.md)
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- [Cheminee::Schema](docs/Schema.md)
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- [Cheminee::Smile](docs/Smile.md)
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- [Cheminee::StandardizedSmile](docs/StandardizedSmile.md)
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- [Cheminee::SubstructureSearchHit](docs/SubstructureSearchHit.md)
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## Documentation for Authorization
|
data/cheminee.gemspec
CHANGED
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# Cheminee::CreateIndexError
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## Properties
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|
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **error** | **String** | | |
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## Example
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```ruby
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require 'cheminee'
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|
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instance = Cheminee::CreateIndexError.new(
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error: null
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)
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```
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data/docs/DefaultApi.md
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# Cheminee::DefaultApi
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All URIs are relative to *http://localhost:3000/api
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All URIs are relative to *http://localhost:3000/api*
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| Method | HTTP request | Description |
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| ------ | ------------ | ----------- |
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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_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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##
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## v1_indexes_get
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> <Array<
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> <Array<IndexMeta>> v1_indexes_get
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### Examples
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```ruby
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require 'time'
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require 'cheminee'
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api_instance = Cheminee::DefaultApi.new
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begin
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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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puts "Error when calling DefaultApi->v1_indexes_get: #{e}"
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end
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```
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#### Using the v1_indexes_get_with_http_info variant
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|
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This returns an Array which contains the response data, status code and headers.
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> <Array(<Array<IndexMeta>>, Integer, Hash)> v1_indexes_get_with_http_info
|
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+
|
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```ruby
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begin
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|
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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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p data # => <Array<IndexMeta>>
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rescue Cheminee::ApiError => e
|
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puts "Error when calling DefaultApi->v1_indexes_get_with_http_info: #{e}"
|
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end
|
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```
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|
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### Parameters
|
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|
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This endpoint does not need any parameter.
|
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|
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### Return type
|
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|
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[**Array<IndexMeta>**](IndexMeta.md)
|
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|
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### Authorization
|
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|
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No authorization required
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### HTTP request headers
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- **Content-Type**: Not defined
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- **Accept**: application/json; charset=utf-8
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|
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## v1_indexes_index_get
|
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|
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> <Array<IndexMeta>> v1_indexes_index_get(index)
|
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|
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+
|
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### Examples
|
81
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+
|
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```ruby
|
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+
require 'time'
|
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require 'cheminee'
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+
|
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api_instance = Cheminee::DefaultApi.new
|
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index = 'index_example' # String |
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|
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begin
|
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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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puts "Error when calling DefaultApi->v1_indexes_index_get: #{e}"
|
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+
end
|
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```
|
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+
|
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+
#### Using the v1_indexes_index_get_with_http_info variant
|
99
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+
|
100
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+
This returns an Array which contains the response data, status code and headers.
|
101
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|
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> <Array(<Array<IndexMeta>>, Integer, Hash)> v1_indexes_index_get_with_http_info(index)
|
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+
|
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```ruby
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begin
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|
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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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p data # => <Array<IndexMeta>>
|
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rescue Cheminee::ApiError => e
|
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puts "Error when calling DefaultApi->v1_indexes_index_get_with_http_info: #{e}"
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end
|
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```
|
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+
|
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### Parameters
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|
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| Name | Type | Description | Notes |
|
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| ---- | ---- | ----------- | ----- |
|
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| **index** | **String** | | |
|
121
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+
|
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### Return type
|
123
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+
|
124
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[**Array<IndexMeta>**](IndexMeta.md)
|
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+
|
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### Authorization
|
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+
|
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No authorization required
|
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+
|
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### HTTP request headers
|
131
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+
|
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- **Content-Type**: Not defined
|
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- **Accept**: application/json; charset=utf-8
|
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|
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+
|
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## v1_indexes_index_post
|
137
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|
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> <IndexMeta> v1_indexes_index_post(index, schema, opts)
|
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+
|
140
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+
|
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+
|
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### Examples
|
143
|
+
|
144
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```ruby
|
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+
require 'time'
|
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+
require 'cheminee'
|
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+
|
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api_instance = Cheminee::DefaultApi.new
|
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index = 'index_example' # String |
|
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schema = 'schema_example' # String |
|
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opts = {
|
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sort_by: 'sort_by_example' # String |
|
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}
|
154
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+
|
155
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begin
|
156
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+
|
157
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+
result = api_instance.v1_indexes_index_post(index, schema, opts)
|
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+
p result
|
159
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+
rescue Cheminee::ApiError => e
|
160
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+
puts "Error when calling DefaultApi->v1_indexes_index_post: #{e}"
|
161
|
+
end
|
162
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+
```
|
163
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+
|
164
|
+
#### Using the v1_indexes_index_post_with_http_info variant
|
165
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+
|
166
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+
This returns an Array which contains the response data, status code and headers.
|
167
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+
|
168
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+
> <Array(<IndexMeta>, Integer, Hash)> v1_indexes_index_post_with_http_info(index, schema, opts)
|
169
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+
|
170
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+
```ruby
|
171
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+
begin
|
172
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+
|
173
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+
data, status_code, headers = api_instance.v1_indexes_index_post_with_http_info(index, schema, opts)
|
174
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+
p status_code # => 2xx
|
175
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+
p headers # => { ... }
|
176
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+
p data # => <IndexMeta>
|
177
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+
rescue Cheminee::ApiError => e
|
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+
puts "Error when calling DefaultApi->v1_indexes_index_post_with_http_info: #{e}"
|
179
|
+
end
|
180
|
+
```
|
181
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+
|
182
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+
### Parameters
|
183
|
+
|
184
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+
| Name | Type | Description | Notes |
|
185
|
+
| ---- | ---- | ----------- | ----- |
|
186
|
+
| **index** | **String** | | |
|
187
|
+
| **schema** | **String** | | |
|
188
|
+
| **sort_by** | **String** | | [optional] |
|
189
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+
|
190
|
+
### Return type
|
191
|
+
|
192
|
+
[**IndexMeta**](IndexMeta.md)
|
193
|
+
|
194
|
+
### Authorization
|
195
|
+
|
196
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+
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
|
+
|