cheminee 0.0.14 → 0.0.15

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