cheminee 0.0.14
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 +7 -0
- data/Gemfile +9 -0
- data/Gemfile.lock +72 -0
- data/README.md +112 -0
- data/Rakefile +10 -0
- data/cheminee.gemspec +39 -0
- data/docs/BulkRequest.md +18 -0
- data/docs/BulkRequestDoc.md +20 -0
- data/docs/CreateIndexError.md +18 -0
- data/docs/DefaultApi.md +529 -0
- data/docs/GetIndexesResponseError.md +18 -0
- data/docs/IndexMeta.md +20 -0
- data/docs/IndexSchema.md +20 -0
- data/docs/ListIndexResponseErr.md +18 -0
- data/docs/PostIndexBulkResponseError.md +18 -0
- data/docs/PostIndexBulkResponseOk.md +18 -0
- data/docs/PostIndexBulkResponseOkStatus.md +20 -0
- data/docs/QueryResponseError.md +18 -0
- data/docs/QuerySearchHit.md +22 -0
- data/docs/Schema.md +20 -0
- data/docs/Smile.md +18 -0
- data/docs/Smiles.md +18 -0
- data/docs/StandardizedSmile.md +20 -0
- data/docs/StandardizedSmiles.md +20 -0
- data/docs/StructureResponseError.md +18 -0
- data/docs/StructureSearchHit.md +26 -0
- data/docs/SubstructureSearchHit.md +24 -0
- data/git_push.sh +57 -0
- data/lib/cheminee/api/default_api.rb +550 -0
- data/lib/cheminee/api_client.rb +393 -0
- data/lib/cheminee/api_error.rb +58 -0
- data/lib/cheminee/configuration.rb +291 -0
- data/lib/cheminee/models/bulk_request.rb +223 -0
- data/lib/cheminee/models/bulk_request_doc.rb +232 -0
- data/lib/cheminee/models/create_index_error.rb +221 -0
- data/lib/cheminee/models/get_indexes_response_error.rb +221 -0
- data/lib/cheminee/models/index_meta.rb +237 -0
- data/lib/cheminee/models/index_schema.rb +233 -0
- data/lib/cheminee/models/list_index_response_err.rb +221 -0
- data/lib/cheminee/models/post_index_bulk_response_error.rb +221 -0
- data/lib/cheminee/models/post_index_bulk_response_ok.rb +223 -0
- data/lib/cheminee/models/post_index_bulk_response_ok_status.rb +223 -0
- data/lib/cheminee/models/query_response_error.rb +221 -0
- data/lib/cheminee/models/query_search_hit.rb +249 -0
- data/lib/cheminee/models/schema.rb +233 -0
- data/lib/cheminee/models/smile.rb +221 -0
- data/lib/cheminee/models/smiles.rb +221 -0
- data/lib/cheminee/models/standardized_smile.rb +223 -0
- data/lib/cheminee/models/standardized_smiles.rb +223 -0
- data/lib/cheminee/models/structure_response_error.rb +221 -0
- data/lib/cheminee/models/structure_search_hit.rb +281 -0
- data/lib/cheminee/models/substructure_search_hit.rb +265 -0
- data/lib/cheminee/version.rb +15 -0
- data/lib/cheminee.rb +57 -0
- data/openapi-generator-config.json +7 -0
- data/openapi.json +77 -0
- data/pkg/cheminee-0.0.14.gem +0 -0
- data/spec/api/default_api_spec.rb +45 -0
- data/spec/api_client_spec.rb +228 -0
- data/spec/configuration_spec.rb +42 -0
- data/spec/models/bulk_request_doc_spec.rb +42 -0
- data/spec/models/bulk_request_spec.rb +36 -0
- data/spec/models/create_index_error_spec.rb +36 -0
- data/spec/models/get_indexes_response_error_spec.rb +36 -0
- data/spec/models/index_meta_spec.rb +42 -0
- data/spec/models/index_schema_spec.rb +42 -0
- data/spec/models/list_index_response_err_spec.rb +36 -0
- data/spec/models/post_index_bulk_response_error_spec.rb +36 -0
- data/spec/models/post_index_bulk_response_ok_spec.rb +36 -0
- data/spec/models/post_index_bulk_response_ok_status_spec.rb +42 -0
- data/spec/models/query_response_error_spec.rb +36 -0
- data/spec/models/query_search_hit_spec.rb +48 -0
- data/spec/models/schema_spec.rb +42 -0
- data/spec/models/smile_spec.rb +34 -0
- data/spec/models/smiles_spec.rb +36 -0
- data/spec/models/standardized_smile_spec.rb +40 -0
- data/spec/models/standardized_smiles_spec.rb +42 -0
- data/spec/models/structure_response_error_spec.rb +36 -0
- data/spec/models/structure_search_hit_spec.rb +60 -0
- data/spec/models/substructure_search_hit_spec.rb +54 -0
- data/spec/spec_helper.rb +111 -0
- metadata +187 -0
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=begin
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#Cheminée
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#Cheminée: The Chemical Structure Search Engine
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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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OpenAPI Generator version: 7.3.0-SNAPSHOT
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=end
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require 'cgi'
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module Cheminee
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class DefaultApi
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attr_accessor :api_client
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def initialize(api_client = ApiClient.default)
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@api_client = api_client
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end
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# List indexes
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# @param [Hash] opts the optional parameters
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# @return [Array<IndexMeta>]
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def v1_indexes_get(opts = {})
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data, _status_code, _headers = v1_indexes_get_with_http_info(opts)
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data
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end
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# List indexes
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# @param [Hash] opts the optional parameters
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# @return [Array<(Array<IndexMeta>, Integer, Hash)>] Array<IndexMeta> data, response status code and response headers
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def v1_indexes_get_with_http_info(opts = {})
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if @api_client.config.debugging
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@api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_get ...'
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end
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# resource path
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local_var_path = '/v1/indexes'
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# query parameters
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query_params = opts[:query_params] || {}
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# header parameters
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header_params = opts[:header_params] || {}
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# HTTP header 'Accept' (if needed)
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header_params['Accept'] = @api_client.select_header_accept(['application/json; charset=utf-8'])
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# form parameters
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form_params = opts[:form_params] || {}
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# http body (model)
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post_body = opts[:debug_body]
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# return_type
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return_type = opts[:debug_return_type] || 'Array<IndexMeta>'
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# auth_names
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auth_names = opts[:debug_auth_names] || []
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new_options = opts.merge(
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:operation => :"DefaultApi.v1_indexes_get",
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:header_params => header_params,
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:query_params => query_params,
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:form_params => form_params,
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:body => post_body,
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:auth_names => auth_names,
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:return_type => return_type
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)
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data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
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if @api_client.config.debugging
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@api_client.config.logger.debug "API called: DefaultApi#v1_indexes_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
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end
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return data, status_code, headers
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end
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# Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
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# @param index [String]
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# @param bulk_request [BulkRequest]
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# @param [Hash] opts the optional parameters
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# @return [PostIndexBulkResponseOk]
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def v1_indexes_index_bulk_index_post(index, bulk_request, opts = {})
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data, _status_code, _headers = v1_indexes_index_bulk_index_post_with_http_info(index, bulk_request, opts)
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data
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end
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# Index a list of SMILES and associated, free-form JSON attributes which are indexed and searchable
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# @param index [String]
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# @param bulk_request [BulkRequest]
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# @param [Hash] opts the optional parameters
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# @return [Array<(PostIndexBulkResponseOk, Integer, Hash)>] PostIndexBulkResponseOk data, response status code and response headers
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def v1_indexes_index_bulk_index_post_with_http_info(index, bulk_request, opts = {})
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if @api_client.config.debugging
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@api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_bulk_index_post ...'
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end
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# verify the required parameter 'index' is set
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if @api_client.config.client_side_validation && index.nil?
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fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_bulk_index_post"
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end
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# verify the required parameter 'bulk_request' is set
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if @api_client.config.client_side_validation && bulk_request.nil?
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fail ArgumentError, "Missing the required parameter 'bulk_request' when calling DefaultApi.v1_indexes_index_bulk_index_post"
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end
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# resource path
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local_var_path = '/v1/indexes/{index}/bulk_index'.sub('{' + 'index' + '}', CGI.escape(index.to_s))
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# query parameters
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query_params = opts[:query_params] || {}
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# header parameters
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header_params = opts[:header_params] || {}
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# HTTP header 'Accept' (if needed)
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header_params['Accept'] = @api_client.select_header_accept(['application/json; charset=utf-8'])
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# HTTP header 'Content-Type'
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content_type = @api_client.select_header_content_type(['application/json; charset=utf-8'])
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if !content_type.nil?
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header_params['Content-Type'] = content_type
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end
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# form parameters
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form_params = opts[:form_params] || {}
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# http body (model)
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post_body = opts[:debug_body] || @api_client.object_to_http_body(bulk_request)
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# return_type
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return_type = opts[:debug_return_type] || 'PostIndexBulkResponseOk'
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# auth_names
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auth_names = opts[:debug_auth_names] || []
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new_options = opts.merge(
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:operation => :"DefaultApi.v1_indexes_index_bulk_index_post",
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:header_params => header_params,
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:query_params => query_params,
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:form_params => form_params,
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:body => post_body,
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:auth_names => auth_names,
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:return_type => return_type
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)
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data, status_code, headers = @api_client.call_api(:POST, local_var_path, new_options)
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if @api_client.config.debugging
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@api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_bulk_index_post\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
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end
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return data, status_code, headers
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end
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# Get extended information about an index
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# @param index [String]
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# @param [Hash] opts the optional parameters
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# @return [IndexSchema]
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def v1_indexes_index_get(index, opts = {})
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data, _status_code, _headers = v1_indexes_index_get_with_http_info(index, opts)
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data
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end
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# Get extended information about an index
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# @param index [String]
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# @param [Hash] opts the optional parameters
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# @return [Array<(IndexSchema, Integer, Hash)>] IndexSchema data, response status code and response headers
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def v1_indexes_index_get_with_http_info(index, opts = {})
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if @api_client.config.debugging
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@api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_get ...'
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end
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# verify the required parameter 'index' is set
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if @api_client.config.client_side_validation && index.nil?
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fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_get"
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end
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# resource path
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local_var_path = '/v1/indexes/{index}'.sub('{' + 'index' + '}', CGI.escape(index.to_s))
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# query parameters
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query_params = opts[:query_params] || {}
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# header parameters
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header_params = opts[:header_params] || {}
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# HTTP header 'Accept' (if needed)
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header_params['Accept'] = @api_client.select_header_accept(['application/json; charset=utf-8'])
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# form parameters
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form_params = opts[:form_params] || {}
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# http body (model)
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post_body = opts[:debug_body]
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# return_type
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return_type = opts[:debug_return_type] || 'IndexSchema'
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# auth_names
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auth_names = opts[:debug_auth_names] || []
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new_options = opts.merge(
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:operation => :"DefaultApi.v1_indexes_index_get",
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:header_params => header_params,
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:query_params => query_params,
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:form_params => form_params,
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:body => post_body,
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:auth_names => auth_names,
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:return_type => return_type
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)
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data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
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if @api_client.config.debugging
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@api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
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end
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return data, status_code, headers
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end
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# Create an index
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# @param index [String]
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# @param schema [String]
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# @param [Hash] opts the optional parameters
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# @option opts [String] :sort_by
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# @return [IndexMeta]
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def v1_indexes_index_post(index, schema, opts = {})
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data, _status_code, _headers = v1_indexes_index_post_with_http_info(index, schema, opts)
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data
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end
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# Create an index
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# @param index [String]
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# @param schema [String]
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# @param [Hash] opts the optional parameters
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# @option opts [String] :sort_by
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# @return [Array<(IndexMeta, Integer, Hash)>] IndexMeta data, response status code and response headers
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def v1_indexes_index_post_with_http_info(index, schema, opts = {})
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if @api_client.config.debugging
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@api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_post ...'
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end
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# verify the required parameter 'index' is set
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if @api_client.config.client_side_validation && index.nil?
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fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_post"
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end
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# verify the required parameter 'schema' is set
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if @api_client.config.client_side_validation && schema.nil?
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fail ArgumentError, "Missing the required parameter 'schema' when calling DefaultApi.v1_indexes_index_post"
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end
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# resource path
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local_var_path = '/v1/indexes/{index}'.sub('{' + 'index' + '}', CGI.escape(index.to_s))
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# query parameters
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query_params = opts[:query_params] || {}
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query_params[:'schema'] = schema
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query_params[:'sort_by'] = opts[:'sort_by'] if !opts[:'sort_by'].nil?
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# header parameters
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header_params = opts[:header_params] || {}
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# HTTP header 'Accept' (if needed)
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header_params['Accept'] = @api_client.select_header_accept(['application/json; charset=utf-8'])
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# form parameters
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form_params = opts[:form_params] || {}
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# http body (model)
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post_body = opts[:debug_body]
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# return_type
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return_type = opts[:debug_return_type] || 'IndexMeta'
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# auth_names
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auth_names = opts[:debug_auth_names] || []
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new_options = opts.merge(
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:operation => :"DefaultApi.v1_indexes_index_post",
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:header_params => header_params,
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:query_params => query_params,
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:form_params => form_params,
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:body => post_body,
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:auth_names => auth_names,
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:return_type => return_type
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)
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data, status_code, headers = @api_client.call_api(:POST, local_var_path, new_options)
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if @api_client.config.debugging
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@api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_post\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
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+
end
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return data, status_code, headers
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+
end
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+
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281
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# Perform basic query search against index
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# @param index [String]
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+
# @param query [String]
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# @param [Hash] opts the optional parameters
|
285
|
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# @option opts [Integer] :limit
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# @return [Array<QuerySearchHit>]
|
287
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+
def v1_indexes_index_search_basic_get(index, query, opts = {})
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288
|
+
data, _status_code, _headers = v1_indexes_index_search_basic_get_with_http_info(index, query, opts)
|
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+
data
|
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+
end
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+
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292
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# Perform basic query search against index
|
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# @param index [String]
|
294
|
+
# @param query [String]
|
295
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+
# @param [Hash] opts the optional parameters
|
296
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# @option opts [Integer] :limit
|
297
|
+
# @return [Array<(Array<QuerySearchHit>, Integer, Hash)>] Array<QuerySearchHit> data, response status code and response headers
|
298
|
+
def v1_indexes_index_search_basic_get_with_http_info(index, query, opts = {})
|
299
|
+
if @api_client.config.debugging
|
300
|
+
@api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_search_basic_get ...'
|
301
|
+
end
|
302
|
+
# verify the required parameter 'index' is set
|
303
|
+
if @api_client.config.client_side_validation && index.nil?
|
304
|
+
fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_search_basic_get"
|
305
|
+
end
|
306
|
+
# verify the required parameter 'query' is set
|
307
|
+
if @api_client.config.client_side_validation && query.nil?
|
308
|
+
fail ArgumentError, "Missing the required parameter 'query' when calling DefaultApi.v1_indexes_index_search_basic_get"
|
309
|
+
end
|
310
|
+
# resource path
|
311
|
+
local_var_path = '/v1/indexes/{index}/search/basic'.sub('{' + 'index' + '}', CGI.escape(index.to_s))
|
312
|
+
|
313
|
+
# query parameters
|
314
|
+
query_params = opts[:query_params] || {}
|
315
|
+
query_params[:'query'] = query
|
316
|
+
query_params[:'limit'] = opts[:'limit'] if !opts[:'limit'].nil?
|
317
|
+
|
318
|
+
# header parameters
|
319
|
+
header_params = opts[:header_params] || {}
|
320
|
+
# HTTP header 'Accept' (if needed)
|
321
|
+
header_params['Accept'] = @api_client.select_header_accept(['application/json; charset=utf-8'])
|
322
|
+
|
323
|
+
# form parameters
|
324
|
+
form_params = opts[:form_params] || {}
|
325
|
+
|
326
|
+
# http body (model)
|
327
|
+
post_body = opts[:debug_body]
|
328
|
+
|
329
|
+
# return_type
|
330
|
+
return_type = opts[:debug_return_type] || 'Array<QuerySearchHit>'
|
331
|
+
|
332
|
+
# auth_names
|
333
|
+
auth_names = opts[:debug_auth_names] || []
|
334
|
+
|
335
|
+
new_options = opts.merge(
|
336
|
+
:operation => :"DefaultApi.v1_indexes_index_search_basic_get",
|
337
|
+
:header_params => header_params,
|
338
|
+
:query_params => query_params,
|
339
|
+
:form_params => form_params,
|
340
|
+
:body => post_body,
|
341
|
+
:auth_names => auth_names,
|
342
|
+
:return_type => return_type
|
343
|
+
)
|
344
|
+
|
345
|
+
data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
|
346
|
+
if @api_client.config.debugging
|
347
|
+
@api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_search_basic_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
|
348
|
+
end
|
349
|
+
return data, status_code, headers
|
350
|
+
end
|
351
|
+
|
352
|
+
# Perform substructure search against index
|
353
|
+
# @param index [String]
|
354
|
+
# @param smiles [String]
|
355
|
+
# @param [Hash] opts the optional parameters
|
356
|
+
# @option opts [Integer] :result_limit
|
357
|
+
# @option opts [Integer] :tautomer_limit
|
358
|
+
# @option opts [String] :extra_query
|
359
|
+
# @return [Array<StructureSearchHit>]
|
360
|
+
def v1_indexes_index_search_substructure_get(index, smiles, opts = {})
|
361
|
+
data, _status_code, _headers = v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts)
|
362
|
+
data
|
363
|
+
end
|
364
|
+
|
365
|
+
# Perform substructure search against index
|
366
|
+
# @param index [String]
|
367
|
+
# @param smiles [String]
|
368
|
+
# @param [Hash] opts the optional parameters
|
369
|
+
# @option opts [Integer] :result_limit
|
370
|
+
# @option opts [Integer] :tautomer_limit
|
371
|
+
# @option opts [String] :extra_query
|
372
|
+
# @return [Array<(Array<StructureSearchHit>, Integer, Hash)>] Array<StructureSearchHit> data, response status code and response headers
|
373
|
+
def v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts = {})
|
374
|
+
if @api_client.config.debugging
|
375
|
+
@api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_search_substructure_get ...'
|
376
|
+
end
|
377
|
+
# verify the required parameter 'index' is set
|
378
|
+
if @api_client.config.client_side_validation && index.nil?
|
379
|
+
fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_search_substructure_get"
|
380
|
+
end
|
381
|
+
# verify the required parameter 'smiles' is set
|
382
|
+
if @api_client.config.client_side_validation && smiles.nil?
|
383
|
+
fail ArgumentError, "Missing the required parameter 'smiles' when calling DefaultApi.v1_indexes_index_search_substructure_get"
|
384
|
+
end
|
385
|
+
# resource path
|
386
|
+
local_var_path = '/v1/indexes/{index}/search/substructure'.sub('{' + 'index' + '}', CGI.escape(index.to_s))
|
387
|
+
|
388
|
+
# query parameters
|
389
|
+
query_params = opts[:query_params] || {}
|
390
|
+
query_params[:'smiles'] = smiles
|
391
|
+
query_params[:'result_limit'] = opts[:'result_limit'] if !opts[:'result_limit'].nil?
|
392
|
+
query_params[:'tautomer_limit'] = opts[:'tautomer_limit'] if !opts[:'tautomer_limit'].nil?
|
393
|
+
query_params[:'extra_query'] = opts[:'extra_query'] if !opts[:'extra_query'].nil?
|
394
|
+
|
395
|
+
# header parameters
|
396
|
+
header_params = opts[:header_params] || {}
|
397
|
+
# HTTP header 'Accept' (if needed)
|
398
|
+
header_params['Accept'] = @api_client.select_header_accept(['application/json; charset=utf-8'])
|
399
|
+
|
400
|
+
# form parameters
|
401
|
+
form_params = opts[:form_params] || {}
|
402
|
+
|
403
|
+
# http body (model)
|
404
|
+
post_body = opts[:debug_body]
|
405
|
+
|
406
|
+
# return_type
|
407
|
+
return_type = opts[:debug_return_type] || 'Array<StructureSearchHit>'
|
408
|
+
|
409
|
+
# auth_names
|
410
|
+
auth_names = opts[:debug_auth_names] || []
|
411
|
+
|
412
|
+
new_options = opts.merge(
|
413
|
+
:operation => :"DefaultApi.v1_indexes_index_search_substructure_get",
|
414
|
+
:header_params => header_params,
|
415
|
+
:query_params => query_params,
|
416
|
+
:form_params => form_params,
|
417
|
+
:body => post_body,
|
418
|
+
:auth_names => auth_names,
|
419
|
+
:return_type => return_type
|
420
|
+
)
|
421
|
+
|
422
|
+
data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
|
423
|
+
if @api_client.config.debugging
|
424
|
+
@api_client.config.logger.debug "API called: DefaultApi#v1_indexes_index_search_substructure_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
|
425
|
+
end
|
426
|
+
return data, status_code, headers
|
427
|
+
end
|
428
|
+
|
429
|
+
# List schemas available for creating indexes
|
430
|
+
# @param [Hash] opts the optional parameters
|
431
|
+
# @return [Array<Schema>]
|
432
|
+
def v1_schemas_get(opts = {})
|
433
|
+
data, _status_code, _headers = v1_schemas_get_with_http_info(opts)
|
434
|
+
data
|
435
|
+
end
|
436
|
+
|
437
|
+
# List schemas available for creating indexes
|
438
|
+
# @param [Hash] opts the optional parameters
|
439
|
+
# @return [Array<(Array<Schema>, Integer, Hash)>] Array<Schema> data, response status code and response headers
|
440
|
+
def v1_schemas_get_with_http_info(opts = {})
|
441
|
+
if @api_client.config.debugging
|
442
|
+
@api_client.config.logger.debug 'Calling API: DefaultApi.v1_schemas_get ...'
|
443
|
+
end
|
444
|
+
# resource path
|
445
|
+
local_var_path = '/v1/schemas'
|
446
|
+
|
447
|
+
# query parameters
|
448
|
+
query_params = opts[:query_params] || {}
|
449
|
+
|
450
|
+
# header parameters
|
451
|
+
header_params = opts[:header_params] || {}
|
452
|
+
# HTTP header 'Accept' (if needed)
|
453
|
+
header_params['Accept'] = @api_client.select_header_accept(['application/json; charset=utf-8'])
|
454
|
+
|
455
|
+
# form parameters
|
456
|
+
form_params = opts[:form_params] || {}
|
457
|
+
|
458
|
+
# http body (model)
|
459
|
+
post_body = opts[:debug_body]
|
460
|
+
|
461
|
+
# return_type
|
462
|
+
return_type = opts[:debug_return_type] || 'Array<Schema>'
|
463
|
+
|
464
|
+
# auth_names
|
465
|
+
auth_names = opts[:debug_auth_names] || []
|
466
|
+
|
467
|
+
new_options = opts.merge(
|
468
|
+
:operation => :"DefaultApi.v1_schemas_get",
|
469
|
+
:header_params => header_params,
|
470
|
+
:query_params => query_params,
|
471
|
+
:form_params => form_params,
|
472
|
+
:body => post_body,
|
473
|
+
:auth_names => auth_names,
|
474
|
+
:return_type => return_type
|
475
|
+
)
|
476
|
+
|
477
|
+
data, status_code, headers = @api_client.call_api(:GET, local_var_path, new_options)
|
478
|
+
if @api_client.config.debugging
|
479
|
+
@api_client.config.logger.debug "API called: DefaultApi#v1_schemas_get\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
|
480
|
+
end
|
481
|
+
return data, status_code, headers
|
482
|
+
end
|
483
|
+
|
484
|
+
# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
|
485
|
+
# @param smiles [Array<Smiles>]
|
486
|
+
# @param [Hash] opts the optional parameters
|
487
|
+
# @return [Array<StandardizedSmiles>]
|
488
|
+
def v1_standardize_post(smiles, opts = {})
|
489
|
+
data, _status_code, _headers = v1_standardize_post_with_http_info(smiles, opts)
|
490
|
+
data
|
491
|
+
end
|
492
|
+
|
493
|
+
# Pass a list of SMILES through fragment_parent, uncharger, and canonicalization routines
|
494
|
+
# @param smiles [Array<Smiles>]
|
495
|
+
# @param [Hash] opts the optional parameters
|
496
|
+
# @return [Array<(Array<StandardizedSmiles>, Integer, Hash)>] Array<StandardizedSmiles> data, response status code and response headers
|
497
|
+
def v1_standardize_post_with_http_info(smiles, opts = {})
|
498
|
+
if @api_client.config.debugging
|
499
|
+
@api_client.config.logger.debug 'Calling API: DefaultApi.v1_standardize_post ...'
|
500
|
+
end
|
501
|
+
# verify the required parameter 'smiles' is set
|
502
|
+
if @api_client.config.client_side_validation && smiles.nil?
|
503
|
+
fail ArgumentError, "Missing the required parameter 'smiles' when calling DefaultApi.v1_standardize_post"
|
504
|
+
end
|
505
|
+
# resource path
|
506
|
+
local_var_path = '/v1/standardize'
|
507
|
+
|
508
|
+
# query parameters
|
509
|
+
query_params = opts[:query_params] || {}
|
510
|
+
|
511
|
+
# header parameters
|
512
|
+
header_params = opts[:header_params] || {}
|
513
|
+
# HTTP header 'Accept' (if needed)
|
514
|
+
header_params['Accept'] = @api_client.select_header_accept(['application/json; charset=utf-8'])
|
515
|
+
# HTTP header 'Content-Type'
|
516
|
+
content_type = @api_client.select_header_content_type(['application/json; charset=utf-8'])
|
517
|
+
if !content_type.nil?
|
518
|
+
header_params['Content-Type'] = content_type
|
519
|
+
end
|
520
|
+
|
521
|
+
# form parameters
|
522
|
+
form_params = opts[:form_params] || {}
|
523
|
+
|
524
|
+
# http body (model)
|
525
|
+
post_body = opts[:debug_body] || @api_client.object_to_http_body(smiles)
|
526
|
+
|
527
|
+
# return_type
|
528
|
+
return_type = opts[:debug_return_type] || 'Array<StandardizedSmiles>'
|
529
|
+
|
530
|
+
# auth_names
|
531
|
+
auth_names = opts[:debug_auth_names] || []
|
532
|
+
|
533
|
+
new_options = opts.merge(
|
534
|
+
:operation => :"DefaultApi.v1_standardize_post",
|
535
|
+
:header_params => header_params,
|
536
|
+
:query_params => query_params,
|
537
|
+
:form_params => form_params,
|
538
|
+
:body => post_body,
|
539
|
+
:auth_names => auth_names,
|
540
|
+
:return_type => return_type
|
541
|
+
)
|
542
|
+
|
543
|
+
data, status_code, headers = @api_client.call_api(:POST, local_var_path, new_options)
|
544
|
+
if @api_client.config.debugging
|
545
|
+
@api_client.config.logger.debug "API called: DefaultApi#v1_standardize_post\nData: #{data.inspect}\nStatus code: #{status_code}\nHeaders: #{headers}"
|
546
|
+
end
|
547
|
+
return data, status_code, headers
|
548
|
+
end
|
549
|
+
end
|
550
|
+
end
|