cheminee 0.1.18 → 0.1.19
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- 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:
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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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@@ -533,7 +533,7 @@ No authorization required
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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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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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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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Binary file
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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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@@ -116,7 +116,7 @@ files:
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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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