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
data/docs/Schema.md ADDED
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+ # Cheminee::Schema
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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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+ | **name** | **String** | | |
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+ | **schema** | **Object** | | |
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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::Schema.new(
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+ name: null,
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+ schema: null
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+ )
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+ ```
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+
data/docs/Smile.md ADDED
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+ # Cheminee::Smile
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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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+ | **smile** | **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::Smile.new(
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+ smile: null
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+ )
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+ ```
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+
data/docs/Smiles.md ADDED
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+ # Cheminee::Smiles
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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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+
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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::Smiles.new(
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+ smiles: null
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+ )
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+ ```
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+
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+ # Cheminee::StandardizedSmile
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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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+ | **smile** | **String** | | [optional] |
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+ | **error** | **String** | | [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::StandardizedSmile.new(
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+ smile: null,
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+ error: null
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+ )
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+ ```
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+
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+ # Cheminee::StandardizedSmiles
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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** | | [optional] |
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+ | **error** | **String** | | [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::StandardizedSmiles.new(
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+ smiles: null,
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+ error: null
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+ )
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+ ```
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+
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+ # Cheminee::StructureResponseError
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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::StructureResponseError.new(
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+ error: null
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+ )
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+ ```
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+
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+ # Cheminee::StructureSearchHit
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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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+ | **extra_data** | **Object** | | |
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+ | **smiles** | **String** | | |
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+ | **score** | **Float** | | |
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+ | **query** | **String** | | |
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+ | **used_tautomers** | **Boolean** | | |
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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::StructureSearchHit.new(
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+ extra_data: null,
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+ smiles: null,
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+ score: null,
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+ query: null,
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+ used_tautomers: null
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+ )
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+ ```
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+
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+ # Cheminee::SubstructureSearchHit
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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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+ | **extra_data** | **Object** | | |
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+ | **smiles** | **String** | | |
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+ | **score** | **Float** | | |
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+ | **query** | **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::SubstructureSearchHit.new(
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+ extra_data: null,
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+ smiles: null,
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+ score: null,
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+ query: null
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+ )
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+ ```
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+
data/git_push.sh ADDED
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+ #!/bin/sh
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+ # ref: https://help.github.com/articles/adding-an-existing-project-to-github-using-the-command-line/
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+ #
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+ # Usage example: /bin/sh ./git_push.sh wing328 openapi-petstore-perl "minor update" "gitlab.com"
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+
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+ git_user_id=$1
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+ git_repo_id=$2
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+ release_note=$3
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+ git_host=$4
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+
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+ if [ "$git_host" = "" ]; then
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+ git_host="github.com"
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+ echo "[INFO] No command line input provided. Set \$git_host to $git_host"
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+ fi
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+
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+ if [ "$git_user_id" = "" ]; then
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+ git_user_id="GIT_USER_ID"
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+ echo "[INFO] No command line input provided. Set \$git_user_id to $git_user_id"
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+ fi
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+
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+ if [ "$git_repo_id" = "" ]; then
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+ git_repo_id="GIT_REPO_ID"
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+ echo "[INFO] No command line input provided. Set \$git_repo_id to $git_repo_id"
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+ fi
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+
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+ if [ "$release_note" = "" ]; then
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+ release_note="Minor update"
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+ echo "[INFO] No command line input provided. Set \$release_note to $release_note"
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+ fi
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+
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+ # Initialize the local directory as a Git repository
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+ git init
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+
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+ # Adds the files in the local repository and stages them for commit.
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+ git add .
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+
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+ # Commits the tracked changes and prepares them to be pushed to a remote repository.
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+ git commit -m "$release_note"
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+
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+ # Sets the new remote
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+ git_remote=$(git remote)
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+ if [ "$git_remote" = "" ]; then # git remote not defined
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+
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+ if [ "$GIT_TOKEN" = "" ]; then
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+ echo "[INFO] \$GIT_TOKEN (environment variable) is not set. Using the git credential in your environment."
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+ git remote add origin https://${git_host}/${git_user_id}/${git_repo_id}.git
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+ else
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+ git remote add origin https://${git_user_id}:"${GIT_TOKEN}"@${git_host}/${git_user_id}/${git_repo_id}.git
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+ fi
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+
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+ fi
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+
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+ git pull origin master
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+
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+ # Pushes (Forces) the changes in the local repository up to the remote repository
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+ echo "Git pushing to https://${git_host}/${git_user_id}/${git_repo_id}.git"
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+ git push origin master 2>&1 | grep -v 'To https'