cheminee 0.0.14
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- 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
|