cheminee

Cheminee - the Ruby gem for the Cheminée

Cheminée: The Chemical Structure Search Engine

This SDK is automatically generated by the OpenAPI Generator project:

• API version: 1.0
• Package version: 0.1.19
• Generator version: 7.5.0-SNAPSHOT
• Build package: org.openapitools.codegen.languages.RubyClientCodegen For more information, please visit https://github.com/rdkit-rs/cheminee

To build the Ruby code into a gem:

gem build cheminee.gemspec

Then either install the gem locally:

gem install ./cheminee-0.1.19.gem

(for development, run gem install --dev ./cheminee-0.1.19.gem to install the development dependencies)

or publish the gem to a gem hosting service, e.g. RubyGems.

Finally add this to the Gemfile:

gem 'cheminee', '~> 0.1.19'

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 using -I as follows:

ruby -Ilib script.rb

Please follow the installation procedure and then run the following code:

# Load the gem
require 'cheminee'

api_instance = Cheminee::DefaultApi.new
sanitize = 'sanitize_example' # String | 
mol_block = [Cheminee::MolBlock.new({mol_block: 'mol_block_example'})] # Array<MolBlock> | 

begin
  #Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
  result = api_instance.v1_convert_mol_block_to_smiles_post(sanitize, mol_block)
  p result
rescue Cheminee::ApiError => e
  puts "Exception when calling DefaultApi->v1_convert_mol_block_to_smiles_post: #{e}"
end

All URIs are relative to http://localhost:4001/api

• Cheminee::BulkRequest
• Cheminee::BulkRequestDoc
• Cheminee::ConvertedSmiles
• Cheminee::CreateIndexError
• Cheminee::GetIndexesResponseError
• Cheminee::IndexMeta
• Cheminee::IndexSchema
• Cheminee::ListIndexResponseErr
• Cheminee::MolBlock
• Cheminee::PostIndexBulkResponseError
• Cheminee::PostIndexBulkResponseOk
• Cheminee::PostIndexBulkResponseOkStatus
• Cheminee::QueryResponseError
• Cheminee::QuerySearchHit
• Cheminee::Schema
• Cheminee::Smiles
• Cheminee::StandardizedSmiles
• Cheminee::StructureResponseError
• Cheminee::StructureSearchHit

Endpoints do not require authorization.