cheminee 0.0.14

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Files changed (82) hide show
  1. checksums.yaml +7 -0
  2. data/Gemfile +9 -0
  3. data/Gemfile.lock +72 -0
  4. data/README.md +112 -0
  5. data/Rakefile +10 -0
  6. data/cheminee.gemspec +39 -0
  7. data/docs/BulkRequest.md +18 -0
  8. data/docs/BulkRequestDoc.md +20 -0
  9. data/docs/CreateIndexError.md +18 -0
  10. data/docs/DefaultApi.md +529 -0
  11. data/docs/GetIndexesResponseError.md +18 -0
  12. data/docs/IndexMeta.md +20 -0
  13. data/docs/IndexSchema.md +20 -0
  14. data/docs/ListIndexResponseErr.md +18 -0
  15. data/docs/PostIndexBulkResponseError.md +18 -0
  16. data/docs/PostIndexBulkResponseOk.md +18 -0
  17. data/docs/PostIndexBulkResponseOkStatus.md +20 -0
  18. data/docs/QueryResponseError.md +18 -0
  19. data/docs/QuerySearchHit.md +22 -0
  20. data/docs/Schema.md +20 -0
  21. data/docs/Smile.md +18 -0
  22. data/docs/Smiles.md +18 -0
  23. data/docs/StandardizedSmile.md +20 -0
  24. data/docs/StandardizedSmiles.md +20 -0
  25. data/docs/StructureResponseError.md +18 -0
  26. data/docs/StructureSearchHit.md +26 -0
  27. data/docs/SubstructureSearchHit.md +24 -0
  28. data/git_push.sh +57 -0
  29. data/lib/cheminee/api/default_api.rb +550 -0
  30. data/lib/cheminee/api_client.rb +393 -0
  31. data/lib/cheminee/api_error.rb +58 -0
  32. data/lib/cheminee/configuration.rb +291 -0
  33. data/lib/cheminee/models/bulk_request.rb +223 -0
  34. data/lib/cheminee/models/bulk_request_doc.rb +232 -0
  35. data/lib/cheminee/models/create_index_error.rb +221 -0
  36. data/lib/cheminee/models/get_indexes_response_error.rb +221 -0
  37. data/lib/cheminee/models/index_meta.rb +237 -0
  38. data/lib/cheminee/models/index_schema.rb +233 -0
  39. data/lib/cheminee/models/list_index_response_err.rb +221 -0
  40. data/lib/cheminee/models/post_index_bulk_response_error.rb +221 -0
  41. data/lib/cheminee/models/post_index_bulk_response_ok.rb +223 -0
  42. data/lib/cheminee/models/post_index_bulk_response_ok_status.rb +223 -0
  43. data/lib/cheminee/models/query_response_error.rb +221 -0
  44. data/lib/cheminee/models/query_search_hit.rb +249 -0
  45. data/lib/cheminee/models/schema.rb +233 -0
  46. data/lib/cheminee/models/smile.rb +221 -0
  47. data/lib/cheminee/models/smiles.rb +221 -0
  48. data/lib/cheminee/models/standardized_smile.rb +223 -0
  49. data/lib/cheminee/models/standardized_smiles.rb +223 -0
  50. data/lib/cheminee/models/structure_response_error.rb +221 -0
  51. data/lib/cheminee/models/structure_search_hit.rb +281 -0
  52. data/lib/cheminee/models/substructure_search_hit.rb +265 -0
  53. data/lib/cheminee/version.rb +15 -0
  54. data/lib/cheminee.rb +57 -0
  55. data/openapi-generator-config.json +7 -0
  56. data/openapi.json +77 -0
  57. data/pkg/cheminee-0.0.14.gem +0 -0
  58. data/spec/api/default_api_spec.rb +45 -0
  59. data/spec/api_client_spec.rb +228 -0
  60. data/spec/configuration_spec.rb +42 -0
  61. data/spec/models/bulk_request_doc_spec.rb +42 -0
  62. data/spec/models/bulk_request_spec.rb +36 -0
  63. data/spec/models/create_index_error_spec.rb +36 -0
  64. data/spec/models/get_indexes_response_error_spec.rb +36 -0
  65. data/spec/models/index_meta_spec.rb +42 -0
  66. data/spec/models/index_schema_spec.rb +42 -0
  67. data/spec/models/list_index_response_err_spec.rb +36 -0
  68. data/spec/models/post_index_bulk_response_error_spec.rb +36 -0
  69. data/spec/models/post_index_bulk_response_ok_spec.rb +36 -0
  70. data/spec/models/post_index_bulk_response_ok_status_spec.rb +42 -0
  71. data/spec/models/query_response_error_spec.rb +36 -0
  72. data/spec/models/query_search_hit_spec.rb +48 -0
  73. data/spec/models/schema_spec.rb +42 -0
  74. data/spec/models/smile_spec.rb +34 -0
  75. data/spec/models/smiles_spec.rb +36 -0
  76. data/spec/models/standardized_smile_spec.rb +40 -0
  77. data/spec/models/standardized_smiles_spec.rb +42 -0
  78. data/spec/models/structure_response_error_spec.rb +36 -0
  79. data/spec/models/structure_search_hit_spec.rb +60 -0
  80. data/spec/models/substructure_search_hit_spec.rb +54 -0
  81. data/spec/spec_helper.rb +111 -0
  82. metadata +187 -0
checksums.yaml ADDED
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data/Gemfile ADDED
@@ -0,0 +1,9 @@
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+ source 'https://rubygems.org'
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+
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+ gemspec
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+
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+ group :development, :test do
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+ gem 'rake', '~> 13.0.1'
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+ gem 'pry-byebug'
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+ gem 'rubocop', '~> 0.66.0'
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+ end
data/Gemfile.lock ADDED
@@ -0,0 +1,72 @@
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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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+ typhoeus (~> 1.0, >= 1.0.1)
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+
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+ GEM
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+ remote: https://rubygems.org/
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+ specs:
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+ ast (2.4.2)
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+ byebug (11.1.3)
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+ coderay (1.1.3)
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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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+ 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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+ ast (~> 2.4.1)
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+ racc
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+ pry (0.14.2)
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+ coderay (~> 1.1)
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+ method_source (~> 1.0)
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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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+ stringio
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+ racc (1.7.3)
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+ rainbow (3.1.1)
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+ rake (13.0.6)
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+ rspec (3.12.0)
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+ rspec-core (~> 3.12.0)
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+ rspec-expectations (~> 3.12.0)
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+ rspec-mocks (~> 3.12.0)
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+ rspec-core (3.12.2)
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+ rspec-support (~> 3.12.0)
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+ rspec-expectations (3.12.3)
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+ diff-lcs (>= 1.2.0, < 2.0)
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+ rspec-support (~> 3.12.0)
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+ rspec-mocks (3.12.6)
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+ diff-lcs (>= 1.2.0, < 2.0)
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+ rspec-support (~> 3.12.0)
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+ rspec-support (3.12.1)
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+ rubocop (0.66.0)
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+ jaro_winkler (~> 1.5.1)
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+ parallel (~> 1.10)
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+ parser (>= 2.5, != 2.5.1.1)
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+ psych (>= 3.1.0)
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+ rainbow (>= 2.2.2, < 4.0)
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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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+ ethon (>= 0.9.0)
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+ unicode-display_width (1.5.0)
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+
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+ PLATFORMS
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+ x86_64-linux
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+
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+ DEPENDENCIES
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+ cheminee!
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+ pry-byebug
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+ rake (~> 13.0.1)
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+ rspec (~> 3.6, >= 3.6.0)
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+ rubocop (~> 0.66.0)
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+
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+ BUNDLED WITH
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+ 2.4.10
data/README.md ADDED
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+ # cheminee
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+
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+ Cheminee - the Ruby gem for the Cheminée
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+
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+ Cheminée: The Chemical Structure Search Engine
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+
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+ This SDK is automatically generated by the [OpenAPI Generator](https://openapi-generator.tech) project:
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+
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+ - API version: 1.0
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+ - Package version: 0.0.14
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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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+
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+ ## Installation
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+
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+ ### Build a gem
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+
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+ To build the Ruby code into a gem:
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+
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+ ```shell
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+ gem build cheminee.gemspec
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+ ```
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+
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+ Then either install the gem locally:
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+
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+ ```shell
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+ gem install ./cheminee-0.0.14.gem
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+ ```
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+
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+ (for development, run `gem install --dev ./cheminee-0.0.14.gem` to install the development dependencies)
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+
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+ or publish the gem to a gem hosting service, e.g. [RubyGems](https://rubygems.org/).
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+
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+ Finally add this to the Gemfile:
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+
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+ gem 'cheminee', '~> 0.0.14'
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+
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+ ### Install from Git
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+
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+ If the Ruby gem is hosted at a git repository: https://github.com/GIT_USER_ID/GIT_REPO_ID, then add the following in the Gemfile:
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+
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+ gem 'cheminee', :git => 'https://github.com/GIT_USER_ID/GIT_REPO_ID.git'
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+
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+ ### Include the Ruby code directly
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+
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+ Include the Ruby code directly using `-I` as follows:
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+
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+ ```shell
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+ ruby -Ilib script.rb
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+ ```
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+
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+ ## Getting Started
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+
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+ Please follow the [installation](#installation) procedure and then run the following code:
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+
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+ ```ruby
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+ # Load the gem
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+ require 'cheminee'
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+
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+ 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 "Exception when calling DefaultApi->v1_indexes_get: #{e}"
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+ end
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+
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+ ```
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+
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+ ## Documentation for API Endpoints
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+
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+ All URIs are relative to *http://localhost:3000/api*
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+
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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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+
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+
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+ ## Documentation for Models
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+
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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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+
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+
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+ ## Documentation for Authorization
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+
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+ Endpoints do not require authorization.
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+
data/Rakefile ADDED
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+ require "bundler/gem_tasks"
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+
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+ begin
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+ require 'rspec/core/rake_task'
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+
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+ RSpec::Core::RakeTask.new(:spec)
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+ task default: :spec
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+ rescue LoadError
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+ # no rspec available
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+ end
data/cheminee.gemspec ADDED
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+ # -*- encoding: utf-8 -*-
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+
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+ =begin
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+ #Cheminée
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+
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+ #Cheminée: The Chemical Structure Search Engine
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+
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+ The version of the OpenAPI document: 1.0
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+
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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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+
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+ =end
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+
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+ $:.push File.expand_path("../lib", __FILE__)
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+ require "cheminee/version"
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+
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+ Gem::Specification.new do |s|
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+ s.name = "cheminee"
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+ s.version = Cheminee::VERSION
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+ s.platform = Gem::Platform::RUBY
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+ s.authors = ["Xavier Lange"]
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+ s.email = ["xrlange@gmail.com"]
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+ s.homepage = "https://github.com/rdkit-rs/cheminee-ruby"
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+ s.summary = "Cheminée Ruby Gem"
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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"
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+ s.metadata = {}
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+
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+ s.add_runtime_dependency 'typhoeus', '~> 1.0', '>= 1.0.1'
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+
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+ s.add_development_dependency 'rspec', '~> 3.6', '>= 3.6.0'
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+
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+ s.files = `find *`.split("\n").uniq.sort.select { |f| !f.empty? }
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+ s.test_files = `find spec/*`.split("\n")
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+ s.executables = []
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+ s.require_paths = ["lib"]
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+ end
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+ # Cheminee::BulkRequest
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+
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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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+ | **docs** | [**Array&lt;BulkRequestDoc&gt;**](BulkRequestDoc.md) | | |
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+
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+ ## Example
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+
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+ ```ruby
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+ require 'cheminee'
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+
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+ instance = Cheminee::BulkRequest.new(
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+ docs: null
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+ )
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+ ```
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+
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+ # Cheminee::BulkRequestDoc
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+
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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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+ | **smiles** | **String** | | |
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+ | **extra_data** | **Object** | This value can store an arbitrary JSON object like &#39;{}&#39; | [optional] |
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+
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+ ## Example
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+
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+ ```ruby
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+ require 'cheminee'
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+
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+ instance = Cheminee::BulkRequestDoc.new(
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+ smiles: null,
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+ extra_data: null
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+ )
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+ ```
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+
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+ # Cheminee::CreateIndexError
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+
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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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+
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+ ## Example
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+
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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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+