cheminee 0.1.18 → 0.1.19
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- checksums.yaml +4 -4
- data/Gemfile.lock +1 -1
- data/README.md +5 -4
- data/cheminee.gemspec +1 -1
- data/docs/DefaultApi.md +8 -4
- data/lib/cheminee/api/default_api.rb +4 -1
- data/lib/cheminee/api_client.rb +1 -1
- data/lib/cheminee/api_error.rb +1 -1
- data/lib/cheminee/configuration.rb +1 -1
- data/lib/cheminee/models/bulk_request.rb +1 -1
- data/lib/cheminee/models/bulk_request_doc.rb +1 -1
- data/lib/cheminee/models/converted_smiles.rb +1 -1
- data/lib/cheminee/models/create_index_error.rb +1 -1
- data/lib/cheminee/models/get_indexes_response_error.rb +1 -1
- data/lib/cheminee/models/index_meta.rb +1 -1
- data/lib/cheminee/models/index_schema.rb +1 -1
- data/lib/cheminee/models/list_index_response_err.rb +1 -1
- data/lib/cheminee/models/mol_block.rb +1 -1
- data/lib/cheminee/models/post_index_bulk_response_error.rb +1 -1
- data/lib/cheminee/models/post_index_bulk_response_ok.rb +1 -1
- data/lib/cheminee/models/post_index_bulk_response_ok_status.rb +1 -1
- data/lib/cheminee/models/query_response_error.rb +1 -1
- data/lib/cheminee/models/query_search_hit.rb +1 -1
- data/lib/cheminee/models/schema.rb +1 -1
- data/lib/cheminee/models/smiles.rb +1 -1
- data/lib/cheminee/models/standardized_smiles.rb +1 -1
- data/lib/cheminee/models/structure_response_error.rb +1 -1
- data/lib/cheminee/models/structure_search_hit.rb +1 -1
- data/lib/cheminee/version.rb +2 -2
- data/lib/cheminee.rb +1 -1
- data/pkg/cheminee-0.1.19.gem +0 -0
- data/spec/spec_helper.rb +1 -1
- metadata +3 -3
- data/pkg/cheminee-0.1.18.gem +0 -0
checksums.yaml
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---
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SHA256:
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metadata.gz:
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data.tar.gz:
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metadata.gz: '03901b715ab5103a443c33767b98429702b631666ddfe24c4dec639dc91ceec9'
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data.tar.gz: 0bf6ff8c2987e5b0e2dc6edbf24e97bcda1345a9823d2e0bc261bd30c9d7de16
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metadata.gz: 5f9531647629e9c50e16f0086c659c28eb05bc1bcf18da5f470af6ad516bd94f46166f2409a772666c7acd0f824145c0e88bee791a101111270cf6f0198476b0
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data.tar.gz: 02d07cf62d08e1f0c9a871a43b3170224b8d16c4edeb4231f3f217963cb80c253761d291426b8444dc58c540030567bbce18bdd7e851ad7b6afd1e725895280b
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data/Gemfile.lock
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data/README.md
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@@ -7,7 +7,8 @@ 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: 0.1.
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- Package version: 0.1.19
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- Generator version: 7.5.0-SNAPSHOT
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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 +25,16 @@ gem build cheminee.gemspec
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Then either install the gem locally:
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```shell
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gem install ./cheminee-0.1.
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gem install ./cheminee-0.1.19.gem
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```
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(for development, run `gem install --dev ./cheminee-0.1.
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(for development, run `gem install --dev ./cheminee-0.1.19.gem` to install the development dependencies)
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or publish the gem to a gem hosting service, e.g. [RubyGems](https://rubygems.org/).
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Finally add this to the Gemfile:
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gem 'cheminee', '~> 0.1.
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gem 'cheminee', '~> 0.1.19'
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### Install from Git
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data/cheminee.gemspec
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data/docs/DefaultApi.md
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## v1_standardize_post
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> <Array<StandardizedSmiles>> v1_standardize_post(smiles)
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> <Array<StandardizedSmiles>> v1_standardize_post(smiles, opts)
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Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
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@@ -545,10 +545,13 @@ require 'cheminee'
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api_instance = Cheminee::DefaultApi.new
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smiles = [Cheminee::Smiles.new({smiles: 'smiles_example'})] # Array<Smiles> |
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opts = {
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attempt_fix: 'attempt_fix_example' # String |
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}
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begin
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# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
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result = api_instance.v1_standardize_post(smiles)
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result = api_instance.v1_standardize_post(smiles, opts)
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p result
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rescue Cheminee::ApiError => e
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puts "Error when calling DefaultApi->v1_standardize_post: #{e}"
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This returns an Array which contains the response data, status code and headers.
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> <Array(<Array<StandardizedSmiles>>, Integer, Hash)> v1_standardize_post_with_http_info(smiles)
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> <Array(<Array<StandardizedSmiles>>, Integer, Hash)> v1_standardize_post_with_http_info(smiles, opts)
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```ruby
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begin
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# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
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data, status_code, headers = api_instance.v1_standardize_post_with_http_info(smiles)
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data, status_code, headers = api_instance.v1_standardize_post_with_http_info(smiles, opts)
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p status_code # => 2xx
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p headers # => { ... }
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p data # => <Array<StandardizedSmiles>>
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **smiles** | [**Array<Smiles>**](Smiles.md) | | |
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| **attempt_fix** | **String** | | [optional] |
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### Return type
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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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Generator version: 7.5.0-SNAPSHOT
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=end
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# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
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# @param smiles [Array<Smiles>]
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# @param [Hash] opts the optional parameters
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# @option opts [String] :attempt_fix
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# @return [Array<StandardizedSmiles>]
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def v1_standardize_post(smiles, opts = {})
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data, _status_code, _headers = v1_standardize_post_with_http_info(smiles, opts)
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# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
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# @param smiles [Array<Smiles>]
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# @param [Hash] opts the optional parameters
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# @option opts [String] :attempt_fix
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# @return [Array<(Array<StandardizedSmiles>, Integer, Hash)>] Array<StandardizedSmiles> data, response status code and response headers
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def v1_standardize_post_with_http_info(smiles, opts = {})
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if @api_client.config.debugging
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# query parameters
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query_params = opts[:query_params] || {}
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query_params[:'attempt_fix'] = opts[:'attempt_fix'] if !opts[:'attempt_fix'].nil?
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# header parameters
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header_params = opts[:header_params] || {}
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data/lib/cheminee/api_client.rb
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data/lib/cheminee/api_error.rb
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data/lib/cheminee/version.rb
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The version of the OpenAPI document: 1.0
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=end
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module Cheminee
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VERSION = '0.1.
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VERSION = '0.1.19'
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end
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data/lib/cheminee.rb
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data/spec/spec_helper.rb
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metadata
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--- !ruby/object:Gem::Specification
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name: cheminee
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version: !ruby/object:Gem::Version
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version: 0.1.
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version: 0.1.19
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platform: ruby
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authors:
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- Xavier Lange
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autorequire:
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bindir: bin
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cert_chain: []
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date: 2024-02
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date: 2024-04-02 00:00:00.000000000 Z
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dependencies:
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- !ruby/object:Gem::Dependency
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name: typhoeus
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- lib/cheminee/version.rb
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- openapi-generator-config.json
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- openapi.json
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- pkg/cheminee-0.1.
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- pkg/cheminee-0.1.19.gem
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- spec/api/default_api_spec.rb
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- spec/api_client_spec.rb
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- spec/configuration_spec.rb
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data/pkg/cheminee-0.1.18.gem
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