cheminee 0.0.15

checksums.yaml

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data/Gemfile

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+source 'https://rubygems.org'
+
+gemspec
+
+group :development, :test do
+  gem 'rake', '~> 13.0.1'
+  gem 'pry-byebug'
+  gem 'rubocop', '~> 0.66.0'
+end

data/Gemfile.lock

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+PATH
+  remote: .
+  specs:
+    cheminee (0.0.15)
+      typhoeus (~> 1.0, >= 1.0.1)
+
+GEM
+  remote: https://rubygems.org/
+  specs:
+    ast (2.4.2)
+    byebug (11.1.3)
+    coderay (1.1.3)
+    diff-lcs (1.5.0)
+    ethon (0.16.0)
+      ffi (>= 1.15.0)
+    ffi (1.15.5)
+    jaro_winkler (1.5.6)
+    method_source (1.0.0)
+    parallel (1.23.0)
+    parser (3.2.2.3)
+      ast (~> 2.4.1)
+      racc
+    pry (0.14.2)
+      coderay (~> 1.1)
+      method_source (~> 1.0)
+    pry-byebug (3.10.1)
+      byebug (~> 11.0)
+      pry (>= 0.13, < 0.15)
+    psych (5.1.0)
+      stringio
+    racc (1.7.1)
+    rainbow (3.1.1)
+    rake (13.0.6)
+    rspec (3.12.0)
+      rspec-core (~> 3.12.0)
+      rspec-expectations (~> 3.12.0)
+      rspec-mocks (~> 3.12.0)
+    rspec-core (3.12.2)
+      rspec-support (~> 3.12.0)
+    rspec-expectations (3.12.3)
+      diff-lcs (>= 1.2.0, < 2.0)
+      rspec-support (~> 3.12.0)
+    rspec-mocks (3.12.6)
+      diff-lcs (>= 1.2.0, < 2.0)
+      rspec-support (~> 3.12.0)
+    rspec-support (3.12.1)
+    rubocop (0.66.0)
+      jaro_winkler (~> 1.5.1)
+      parallel (~> 1.10)
+      parser (>= 2.5, != 2.5.1.1)
+      psych (>= 3.1.0)
+      rainbow (>= 2.2.2, < 4.0)
+      ruby-progressbar (~> 1.7)
+      unicode-display_width (>= 1.4.0, < 1.6)
+    ruby-progressbar (1.13.0)
+    stringio (3.0.8)
+    typhoeus (1.4.0)
+      ethon (>= 0.9.0)
+    unicode-display_width (1.5.0)
+
+PLATFORMS
+  x86_64-linux
+
+DEPENDENCIES
+  cheminee!
+  pry-byebug
+  rake (~> 13.0.1)
+  rspec (~> 3.6, >= 3.6.0)
+  rubocop (~> 0.66.0)
+
+BUNDLED WITH
+   2.4.10

data/README.md

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+# cheminee
+
+Cheminee - the Ruby gem for the Cheminée
+
+Cheminée: The Chemical Structure Search Engine
+
+This SDK is automatically generated by the [OpenAPI Generator](https://openapi-generator.tech) project:
+
+- API version: 1.0
+- Package version: 0.0.15
+- Build package: org.openapitools.codegen.languages.RubyClientCodegen
+For more information, please visit [https://github.com/rdkit-rs/cheminee](https://github.com/rdkit-rs/cheminee)
+
+## Installation
+
+### Build a gem
+
+To build the Ruby code into a gem:
+
+```shell
+gem build cheminee.gemspec
+```
+
+Then either install the gem locally:
+
+```shell
+gem install ./cheminee-0.0.15.gem
+```
+
+(for development, run `gem install --dev ./cheminee-0.0.15.gem` to install the development dependencies)
+
+or publish the gem to a gem hosting service, e.g. [RubyGems](https://rubygems.org/).
+
+Finally add this to the Gemfile:
+
+    gem 'cheminee', '~> 0.0.15'
+
+### Install from Git
+
+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:
+
+    gem 'cheminee', :git => 'https://github.com/GIT_USER_ID/GIT_REPO_ID.git'
+
+### Include the Ruby code directly
+
+Include the Ruby code directly using `-I` as follows:
+
+```shell
+ruby -Ilib script.rb
+```
+
+## Getting Started
+
+Please follow the [installation](#installation) procedure and then run the following code:
+
+```ruby
+# Load the gem
+require 'cheminee'
+
+api_instance = Cheminee::DefaultApi.new
+smile = [Cheminee::Smile.new({smile: 'smile_example'})] # Array<Smile> | 
+
+begin
+  result = api_instance.standardize_post(smile)
+  p result
+rescue Cheminee::ApiError => e
+  puts "Exception when calling DefaultApi->standardize_post: #{e}"
+end
+
+```
+
+## Documentation for API Endpoints
+
+All URIs are relative to *http://localhost:3000/api/v1*
+
+Class | Method | HTTP request | Description
+------------ | ------------- | ------------- | -------------
+*Cheminee::DefaultApi* | [**standardize_post**](docs/DefaultApi.md#standardize_post) | **POST** /standardize | 
+
+
+## Documentation for Models
+
+ - [Cheminee::Smile](docs/Smile.md)
+ - [Cheminee::StandardizedSmile](docs/StandardizedSmile.md)
+
+
+## Documentation for Authorization
+
+Endpoints do not require authorization.
+

data/Rakefile

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+require "bundler/gem_tasks"
+
+begin
+  require 'rspec/core/rake_task'
+
+  RSpec::Core::RakeTask.new(:spec)
+  task default: :spec
+rescue LoadError
+  # no rspec available
+end

data/cheminee.gemspec

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+# -*- encoding: utf-8 -*-
+
+=begin
+#Cheminée
+
+#Cheminée: The Chemical Structure Search Engine
+
+The version of the OpenAPI document: 1.0
+
+Generated by: https://openapi-generator.tech
+OpenAPI Generator version: 7.0.0-SNAPSHOT
+
+=end
+
+$:.push File.expand_path("../lib", __FILE__)
+require "cheminee/version"
+
+Gem::Specification.new do |s|
+  s.name        = "cheminee"
+  s.version     = Cheminee::VERSION
+  s.platform    = Gem::Platform::RUBY
+  s.authors     = ["Xavier Lange"]
+  s.email       = ["xrlange@gmail.com"]
+  s.homepage    = "https://github.com/rdkit-rs/cheminee-ruby"
+  s.summary     = "Cheminée Ruby Gem"
+  s.description = "Cheminée: The Chemical Structure Search Engine"
+  s.license     = "Unlicense"
+  s.required_ruby_version = ">= 3.0"
+
+  s.add_runtime_dependency 'typhoeus', '~> 1.0', '>= 1.0.1'
+
+  s.add_development_dependency 'rspec', '~> 3.6', '>= 3.6.0'
+
+  s.files         = `find *`.split("\n").uniq.sort.select { |f| !f.empty? }
+  s.test_files    = `find spec/*`.split("\n")
+  s.executables   = []
+  s.require_paths = ["lib"]
+end

data/docs/DefaultApi.md

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+# Cheminee::DefaultApi
+
+All URIs are relative to *http://localhost:3000/api/v1*
+
+| Method | HTTP request | Description |
+| ------ | ------------ | ----------- |
+| [**standardize_post**](DefaultApi.md#standardize_post) | **POST** /standardize |  |
+
+
+## standardize_post
+
+> <Array<StandardizedSmile>> standardize_post(smile)
+
+
+
+### Examples
+
+```ruby
+require 'time'
+require 'cheminee'
+
+api_instance = Cheminee::DefaultApi.new
+smile = [Cheminee::Smile.new({smile: 'smile_example'})] # Array<Smile> | 
+
+begin
+  
+  result = api_instance.standardize_post(smile)
+  p result
+rescue Cheminee::ApiError => e
+  puts "Error when calling DefaultApi->standardize_post: #{e}"
+end
+```
+
+#### Using the standardize_post_with_http_info variant
+
+This returns an Array which contains the response data, status code and headers.
+
+> <Array(<Array<StandardizedSmile>>, Integer, Hash)> standardize_post_with_http_info(smile)
+
+```ruby
+begin
+  
+  data, status_code, headers = api_instance.standardize_post_with_http_info(smile)
+  p status_code # => 2xx
+  p headers # => { ... }
+  p data # => <Array<StandardizedSmile>>
+rescue Cheminee::ApiError => e
+  puts "Error when calling DefaultApi->standardize_post_with_http_info: #{e}"
+end
+```
+
+### Parameters
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **smile** | [**Array&lt;Smile&gt;**](Smile.md) |  |  |
+
+### Return type
+
+[**Array&lt;StandardizedSmile&gt;**](StandardizedSmile.md)
+
+### Authorization
+
+No authorization required
+
+### HTTP request headers
+
+- **Content-Type**: application/json; charset=utf-8
+- **Accept**: application/json; charset=utf-8
+

data/docs/Smile.md

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+# Cheminee::Smile
+
+## Properties
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **smile** | **String** |  |  |
+
+## Example
+
+```ruby
+require 'cheminee'
+
+instance = Cheminee::Smile.new(
+  smile: null
+)
+```
+

data/docs/StandardizedSmile.md

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+# Cheminee::StandardizedSmile
+
+## Properties
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **smile** | **String** |  | [optional] |
+| **error** | **String** |  | [optional] |
+
+## Example
+
+```ruby
+require 'cheminee'
+
+instance = Cheminee::StandardizedSmile.new(
+  smile: null,
+  error: null
+)
+```
+

data/git_push.sh

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+#!/bin/sh
+# ref: https://help.github.com/articles/adding-an-existing-project-to-github-using-the-command-line/
+#
+# Usage example: /bin/sh ./git_push.sh wing328 openapi-petstore-perl "minor update" "gitlab.com"
+
+git_user_id=$1
+git_repo_id=$2
+release_note=$3
+git_host=$4
+
+if [ "$git_host" = "" ]; then
+    git_host="github.com"
+    echo "[INFO] No command line input provided. Set \$git_host to $git_host"
+fi
+
+if [ "$git_user_id" = "" ]; then
+    git_user_id="GIT_USER_ID"
+    echo "[INFO] No command line input provided. Set \$git_user_id to $git_user_id"
+fi
+
+if [ "$git_repo_id" = "" ]; then
+    git_repo_id="GIT_REPO_ID"
+    echo "[INFO] No command line input provided. Set \$git_repo_id to $git_repo_id"
+fi
+
+if [ "$release_note" = "" ]; then
+    release_note="Minor update"
+    echo "[INFO] No command line input provided. Set \$release_note to $release_note"
+fi
+
+# Initialize the local directory as a Git repository
+git init
+
+# Adds the files in the local repository and stages them for commit.
+git add .
+
+# Commits the tracked changes and prepares them to be pushed to a remote repository.
+git commit -m "$release_note"
+
+# Sets the new remote
+git_remote=$(git remote)
+if [ "$git_remote" = "" ]; then # git remote not defined
+
+    if [ "$GIT_TOKEN" = "" ]; then
+        echo "[INFO] \$GIT_TOKEN (environment variable) is not set. Using the git credential in your environment."
+        git remote add origin https://${git_host}/${git_user_id}/${git_repo_id}.git
+    else
+        git remote add origin https://${git_user_id}:"${GIT_TOKEN}"@${git_host}/${git_user_id}/${git_repo_id}.git
+    fi
+
+fi
+
+git pull origin master
+
+# Pushes (Forces) the changes in the local repository up to the remote repository
+echo "Git pushing to https://${git_host}/${git_user_id}/${git_repo_id}.git"
+git push origin master 2>&1 | grep -v 'To https'

data/lib/cheminee/api/default_api.rb

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+=begin
+#Cheminée
+
+#Cheminée: The Chemical Structure Search Engine
+
+The version of the OpenAPI document: 1.0
+
+Generated by: https://openapi-generator.tech
+OpenAPI Generator version: 7.0.0-SNAPSHOT
+
+=end
+
+require 'cgi'
+
+module Cheminee
+  class DefaultApi
+    attr_accessor :api_client
+
+    def initialize(api_client = ApiClient.default)
+      @api_client = api_client
+    end
+    # @param smile [Array<Smile>] 
+    # @param [Hash] opts the optional parameters
+    # @return [Array<StandardizedSmile>]
+    def standardize_post(smile, opts = {})
+      data, _status_code, _headers = standardize_post_with_http_info(smile, opts)
+      data
+    end
+
+    # @param smile [Array<Smile>] 
+    # @param [Hash] opts the optional parameters
+    # @return [Array<(Array<StandardizedSmile>, Integer, Hash)>] Array<StandardizedSmile> data, response status code and response headers
+    def standardize_post_with_http_info(smile, opts = {})
+      if @api_client.config.debugging
+        @api_client.config.logger.debug 'Calling API: DefaultApi.standardize_post ...'
+      end
+      # verify the required parameter 'smile' is set
+      if @api_client.config.client_side_validation && smile.nil?
+        fail ArgumentError, "Missing the required parameter 'smile' when calling DefaultApi.standardize_post"
+      end
+      # resource path
+      local_var_path = '/standardize'
+
+      # query parameters
+      query_params = opts[:query_params] || {}
+
+      # header parameters
+      header_params = opts[:header_params] || {}
+      # HTTP header 'Accept' (if needed)
+      header_params['Accept'] = @api_client.select_header_accept(['application/json; charset=utf-8'])
+      # HTTP header 'Content-Type'
+      content_type = @api_client.select_header_content_type(['application/json; charset=utf-8'])
+      if !content_type.nil?
+          header_params['Content-Type'] = content_type
+      end
+
+      # form parameters
+      form_params = opts[:form_params] || {}
+
+      # http body (model)
+      post_body = opts[:debug_body] || @api_client.object_to_http_body(smile)
+
+      # return_type
+      return_type = opts[:debug_return_type] || 'Array<StandardizedSmile>'
+
+      # auth_names
+      auth_names = opts[:debug_auth_names] || []
+
+      new_options = opts.merge(
+        :operation => :"DefaultApi.standardize_post",
+        :header_params => header_params,
+        :query_params => query_params,
+        :form_params => form_params,
+        :body => post_body,
+        :auth_names => auth_names,
+        :return_type => return_type
+      )
+
+      data, status_code, headers = @api_client.call_api(:POST, local_var_path, new_options)
+      if @api_client.config.debugging
+        @api_client.config.logger.debug "API called: DefaultApi#standardize_post\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
+      end
+      return data, status_code, headers
+    end
+  end
+end