cheminee 0.0.14 → 0.0.15
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- checksums.yaml +4 -4
- data/Gemfile.lock +8 -8
- data/README.md +11 -33
- data/cheminee.gemspec +1 -2
- data/docs/DefaultApi.md +16 -475
- data/lib/cheminee/api/default_api.rb +17 -481
- data/lib/cheminee/api_client.rb +21 -23
- data/lib/cheminee/api_error.rb +1 -1
- data/lib/cheminee/configuration.rb +5 -6
- data/lib/cheminee/models/smile.rb +1 -1
- data/lib/cheminee/models/standardized_smile.rb +1 -1
- data/lib/cheminee/version.rb +2 -2
- data/lib/cheminee.rb +3 -18
- data/pkg/cheminee-0.0.15.gem +0 -0
- data/spec/api_client_spec.rb +1 -1
- data/spec/configuration_spec.rb +4 -4
- data/spec/spec_helper.rb +1 -1
- metadata +3 -75
- data/docs/BulkRequest.md +0 -18
- data/docs/BulkRequestDoc.md +0 -20
- data/docs/CreateIndexError.md +0 -18
- data/docs/GetIndexesResponseError.md +0 -18
- data/docs/IndexMeta.md +0 -20
- data/docs/IndexSchema.md +0 -20
- data/docs/ListIndexResponseErr.md +0 -18
- data/docs/PostIndexBulkResponseError.md +0 -18
- data/docs/PostIndexBulkResponseOk.md +0 -18
- data/docs/PostIndexBulkResponseOkStatus.md +0 -20
- data/docs/QueryResponseError.md +0 -18
- data/docs/QuerySearchHit.md +0 -22
- data/docs/Schema.md +0 -20
- data/docs/Smiles.md +0 -18
- data/docs/StandardizedSmiles.md +0 -20
- data/docs/StructureResponseError.md +0 -18
- data/docs/StructureSearchHit.md +0 -26
- data/docs/SubstructureSearchHit.md +0 -24
- data/lib/cheminee/models/bulk_request.rb +0 -223
- data/lib/cheminee/models/bulk_request_doc.rb +0 -232
- data/lib/cheminee/models/create_index_error.rb +0 -221
- data/lib/cheminee/models/get_indexes_response_error.rb +0 -221
- data/lib/cheminee/models/index_meta.rb +0 -237
- data/lib/cheminee/models/index_schema.rb +0 -233
- data/lib/cheminee/models/list_index_response_err.rb +0 -221
- data/lib/cheminee/models/post_index_bulk_response_error.rb +0 -221
- data/lib/cheminee/models/post_index_bulk_response_ok.rb +0 -223
- data/lib/cheminee/models/post_index_bulk_response_ok_status.rb +0 -223
- data/lib/cheminee/models/query_response_error.rb +0 -221
- data/lib/cheminee/models/query_search_hit.rb +0 -249
- data/lib/cheminee/models/schema.rb +0 -233
- data/lib/cheminee/models/smiles.rb +0 -221
- data/lib/cheminee/models/standardized_smiles.rb +0 -223
- data/lib/cheminee/models/structure_response_error.rb +0 -221
- data/lib/cheminee/models/structure_search_hit.rb +0 -281
- data/lib/cheminee/models/substructure_search_hit.rb +0 -265
- data/pkg/cheminee-0.0.14.gem +0 -0
- data/spec/models/bulk_request_doc_spec.rb +0 -42
- data/spec/models/bulk_request_spec.rb +0 -36
- data/spec/models/create_index_error_spec.rb +0 -36
- data/spec/models/get_indexes_response_error_spec.rb +0 -36
- data/spec/models/index_meta_spec.rb +0 -42
- data/spec/models/index_schema_spec.rb +0 -42
- data/spec/models/list_index_response_err_spec.rb +0 -36
- data/spec/models/post_index_bulk_response_error_spec.rb +0 -36
- data/spec/models/post_index_bulk_response_ok_spec.rb +0 -36
- data/spec/models/post_index_bulk_response_ok_status_spec.rb +0 -42
- data/spec/models/query_response_error_spec.rb +0 -36
- data/spec/models/query_search_hit_spec.rb +0 -48
- data/spec/models/schema_spec.rb +0 -42
- data/spec/models/smiles_spec.rb +0 -36
- data/spec/models/standardized_smiles_spec.rb +0 -42
- data/spec/models/structure_response_error_spec.rb +0 -36
- data/spec/models/structure_search_hit_spec.rb +0 -60
- data/spec/models/substructure_search_hit_spec.rb +0 -54
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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 'date'
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require 'time'
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module Cheminee
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class StructureResponseError
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attr_accessor :error
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# Attribute mapping from ruby-style variable name to JSON key.
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def self.attribute_map
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{
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:'error' => :'error'
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}
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end
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# Returns all the JSON keys this model knows about
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def self.acceptable_attributes
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attribute_map.values
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end
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# Attribute type mapping.
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def self.openapi_types
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{
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:'error' => :'String'
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}
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end
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# List of attributes with nullable: true
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def self.openapi_nullable
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Set.new([
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])
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end
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# Initializes the object
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# @param [Hash] attributes Model attributes in the form of hash
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def initialize(attributes = {})
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if (!attributes.is_a?(Hash))
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fail ArgumentError, "The input argument (attributes) must be a hash in `Cheminee::StructureResponseError` initialize method"
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end
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# check to see if the attribute exists and convert string to symbol for hash key
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attributes = attributes.each_with_object({}) { |(k, v), h|
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if (!self.class.attribute_map.key?(k.to_sym))
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fail ArgumentError, "`#{k}` is not a valid attribute in `Cheminee::StructureResponseError`. Please check the name to make sure it's valid. List of attributes: " + self.class.attribute_map.keys.inspect
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end
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h[k.to_sym] = v
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}
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if attributes.key?(:'error')
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self.error = attributes[:'error']
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else
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self.error = nil
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end
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end
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# Show invalid properties with the reasons. Usually used together with valid?
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# @return Array for valid properties with the reasons
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def list_invalid_properties
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warn '[DEPRECATED] the `list_invalid_properties` method is obsolete'
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invalid_properties = Array.new
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if @error.nil?
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invalid_properties.push('invalid value for "error", error cannot be nil.')
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end
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invalid_properties
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end
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# Check to see if the all the properties in the model are valid
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# @return true if the model is valid
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def valid?
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warn '[DEPRECATED] the `valid?` method is obsolete'
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return false if @error.nil?
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true
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end
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# Checks equality by comparing each attribute.
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# @param [Object] Object to be compared
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def ==(o)
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return true if self.equal?(o)
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self.class == o.class &&
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error == o.error
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end
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# @see the `==` method
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# @param [Object] Object to be compared
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def eql?(o)
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self == o
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end
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# Calculates hash code according to all attributes.
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# @return [Integer] Hash code
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def hash
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[error].hash
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end
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# Builds the object from hash
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# @param [Hash] attributes Model attributes in the form of hash
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# @return [Object] Returns the model itself
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def self.build_from_hash(attributes)
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return nil unless attributes.is_a?(Hash)
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attributes = attributes.transform_keys(&:to_sym)
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transformed_hash = {}
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openapi_types.each_pair do |key, type|
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if attributes.key?(attribute_map[key]) && attributes[attribute_map[key]].nil?
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transformed_hash["#{key}"] = nil
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elsif type =~ /\AArray<(.*)>/i
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if attributes[attribute_map[key]].is_a?(Array)
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transformed_hash["#{key}"] = attributes[attribute_map[key]].map { |v| _deserialize($1, v) }
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end
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transformed_hash["#{key}"] = _deserialize(type, attributes[attribute_map[key]])
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end
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end
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new(transformed_hash)
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end
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# @param string type Data type
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# @param string value Value to be deserialized
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# @return [Object] Deserialized data
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def self._deserialize(type, value)
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case type.to_sym
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when :Time
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Time.parse(value)
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when :Date
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Date.parse(value)
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when :String
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value.to_s
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when :Integer
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value.to_i
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when :Float
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value.to_f
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when :Boolean
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if value.to_s =~ /\A(true|t|yes|y|1)\z/i
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true
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false
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end
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when :Object
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# generic object (usually a Hash), return directly
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value
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when /\AArray<(?<inner_type>.+)>\z/
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inner_type = Regexp.last_match[:inner_type]
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value.map { |v| _deserialize(inner_type, v) }
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when /\AHash<(?<k_type>.+?), (?<v_type>.+)>\z/
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k_type = Regexp.last_match[:k_type]
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v_type = Regexp.last_match[:v_type]
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value.each do |k, v|
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hash[_deserialize(k_type, k)] = _deserialize(v_type, v)
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end
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end
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else # model
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# models (e.g. Pet) or oneOf
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klass = Cheminee.const_get(type)
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klass.respond_to?(:openapi_any_of) || klass.respond_to?(:openapi_one_of) ? klass.build(value) : klass.build_from_hash(value)
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end
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end
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# @return [String] String presentation of the object
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def to_s
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to_hash.to_s
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end
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# @return [Hash] Returns the object in the form of hash
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def to_body
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to_hash
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end
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# @return [Hash] Returns the object in the form of hash
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def to_hash
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hash = {}
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self.class.attribute_map.each_pair do |attr, param|
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value = self.send(attr)
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if value.nil?
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is_nullable = self.class.openapi_nullable.include?(attr)
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next if !is_nullable || (is_nullable && !instance_variable_defined?(:"@#{attr}"))
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hash[param] = _to_hash(value)
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end
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hash
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end
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# For object, use to_hash. Otherwise, just return the value
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# @param [Object] value Any valid value
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def _to_hash(value)
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value.compact.map { |v| _to_hash(v) }
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{}.tap do |hash|
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value.each { |k, v| hash[k] = _to_hash(v) }
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value.to_hash
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value
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end
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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 'date'
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require 'time'
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module Cheminee
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class StructureSearchHit
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attr_accessor :extra_data
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attr_accessor :smiles
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attr_accessor :score
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attr_accessor :query
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attr_accessor :used_tautomers
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# Attribute mapping from ruby-style variable name to JSON key.
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def self.attribute_map
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{
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:'extra_data' => :'extra_data',
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:'smiles' => :'smiles',
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:'score' => :'score',
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:'query' => :'query',
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:'used_tautomers' => :'used_tautomers'
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}
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end
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# Returns all the JSON keys this model knows about
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def self.acceptable_attributes
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attribute_map.values
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end
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# Attribute type mapping.
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def self.openapi_types
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{
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:'extra_data' => :'Object',
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:'smiles' => :'String',
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:'score' => :'Float',
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:'query' => :'String',
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:'used_tautomers' => :'Boolean'
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}
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end
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# List of attributes with nullable: true
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def self.openapi_nullable
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Set.new([
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:'extra_data',
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])
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end
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# Initializes the object
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# @param [Hash] attributes Model attributes in the form of hash
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def initialize(attributes = {})
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if (!attributes.is_a?(Hash))
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fail ArgumentError, "The input argument (attributes) must be a hash in `Cheminee::StructureSearchHit` initialize method"
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end
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# check to see if the attribute exists and convert string to symbol for hash key
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attributes = attributes.each_with_object({}) { |(k, v), h|
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if (!self.class.attribute_map.key?(k.to_sym))
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fail ArgumentError, "`#{k}` is not a valid attribute in `Cheminee::StructureSearchHit`. Please check the name to make sure it's valid. List of attributes: " + self.class.attribute_map.keys.inspect
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end
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h[k.to_sym] = v
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}
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if attributes.key?(:'extra_data')
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self.extra_data = attributes[:'extra_data']
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else
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self.extra_data = nil
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end
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if attributes.key?(:'smiles')
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self.smiles = attributes[:'smiles']
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else
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self.smiles = nil
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end
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if attributes.key?(:'score')
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self.score = attributes[:'score']
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else
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self.score = nil
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end
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if attributes.key?(:'query')
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self.query = attributes[:'query']
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else
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self.query = nil
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end
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if attributes.key?(:'used_tautomers')
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self.used_tautomers = attributes[:'used_tautomers']
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else
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self.used_tautomers = nil
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end
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end
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107
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108
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# Show invalid properties with the reasons. Usually used together with valid?
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# @return Array for valid properties with the reasons
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110
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def list_invalid_properties
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111
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warn '[DEPRECATED] the `list_invalid_properties` method is obsolete'
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invalid_properties = Array.new
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113
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if @smiles.nil?
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invalid_properties.push('invalid value for "smiles", smiles cannot be nil.')
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115
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end
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116
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117
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if @score.nil?
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118
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invalid_properties.push('invalid value for "score", score cannot be nil.')
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119
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end
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120
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121
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if @query.nil?
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invalid_properties.push('invalid value for "query", query cannot be nil.')
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123
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end
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125
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if @used_tautomers.nil?
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invalid_properties.push('invalid value for "used_tautomers", used_tautomers cannot be nil.')
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127
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end
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128
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129
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invalid_properties
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end
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# Check to see if the all the properties in the model are valid
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# @return true if the model is valid
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def valid?
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warn '[DEPRECATED] the `valid?` method is obsolete'
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return false if @smiles.nil?
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return false if @score.nil?
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return false if @query.nil?
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139
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return false if @used_tautomers.nil?
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true
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141
|
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end
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142
|
-
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143
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# Checks equality by comparing each attribute.
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# @param [Object] Object to be compared
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145
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def ==(o)
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146
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return true if self.equal?(o)
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147
|
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self.class == o.class &&
|
148
|
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extra_data == o.extra_data &&
|
149
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smiles == o.smiles &&
|
150
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score == o.score &&
|
151
|
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query == o.query &&
|
152
|
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used_tautomers == o.used_tautomers
|
153
|
-
end
|
154
|
-
|
155
|
-
# @see the `==` method
|
156
|
-
# @param [Object] Object to be compared
|
157
|
-
def eql?(o)
|
158
|
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self == o
|
159
|
-
end
|
160
|
-
|
161
|
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# Calculates hash code according to all attributes.
|
162
|
-
# @return [Integer] Hash code
|
163
|
-
def hash
|
164
|
-
[extra_data, smiles, score, query, used_tautomers].hash
|
165
|
-
end
|
166
|
-
|
167
|
-
# Builds the object from hash
|
168
|
-
# @param [Hash] attributes Model attributes in the form of hash
|
169
|
-
# @return [Object] Returns the model itself
|
170
|
-
def self.build_from_hash(attributes)
|
171
|
-
return nil unless attributes.is_a?(Hash)
|
172
|
-
attributes = attributes.transform_keys(&:to_sym)
|
173
|
-
transformed_hash = {}
|
174
|
-
openapi_types.each_pair do |key, type|
|
175
|
-
if attributes.key?(attribute_map[key]) && attributes[attribute_map[key]].nil?
|
176
|
-
transformed_hash["#{key}"] = nil
|
177
|
-
elsif type =~ /\AArray<(.*)>/i
|
178
|
-
# check to ensure the input is an array given that the attribute
|
179
|
-
# is documented as an array but the input is not
|
180
|
-
if attributes[attribute_map[key]].is_a?(Array)
|
181
|
-
transformed_hash["#{key}"] = attributes[attribute_map[key]].map { |v| _deserialize($1, v) }
|
182
|
-
end
|
183
|
-
elsif !attributes[attribute_map[key]].nil?
|
184
|
-
transformed_hash["#{key}"] = _deserialize(type, attributes[attribute_map[key]])
|
185
|
-
end
|
186
|
-
end
|
187
|
-
new(transformed_hash)
|
188
|
-
end
|
189
|
-
|
190
|
-
# Deserializes the data based on type
|
191
|
-
# @param string type Data type
|
192
|
-
# @param string value Value to be deserialized
|
193
|
-
# @return [Object] Deserialized data
|
194
|
-
def self._deserialize(type, value)
|
195
|
-
case type.to_sym
|
196
|
-
when :Time
|
197
|
-
Time.parse(value)
|
198
|
-
when :Date
|
199
|
-
Date.parse(value)
|
200
|
-
when :String
|
201
|
-
value.to_s
|
202
|
-
when :Integer
|
203
|
-
value.to_i
|
204
|
-
when :Float
|
205
|
-
value.to_f
|
206
|
-
when :Boolean
|
207
|
-
if value.to_s =~ /\A(true|t|yes|y|1)\z/i
|
208
|
-
true
|
209
|
-
else
|
210
|
-
false
|
211
|
-
end
|
212
|
-
when :Object
|
213
|
-
# generic object (usually a Hash), return directly
|
214
|
-
value
|
215
|
-
when /\AArray<(?<inner_type>.+)>\z/
|
216
|
-
inner_type = Regexp.last_match[:inner_type]
|
217
|
-
value.map { |v| _deserialize(inner_type, v) }
|
218
|
-
when /\AHash<(?<k_type>.+?), (?<v_type>.+)>\z/
|
219
|
-
k_type = Regexp.last_match[:k_type]
|
220
|
-
v_type = Regexp.last_match[:v_type]
|
221
|
-
{}.tap do |hash|
|
222
|
-
value.each do |k, v|
|
223
|
-
hash[_deserialize(k_type, k)] = _deserialize(v_type, v)
|
224
|
-
end
|
225
|
-
end
|
226
|
-
else # model
|
227
|
-
# models (e.g. Pet) or oneOf
|
228
|
-
klass = Cheminee.const_get(type)
|
229
|
-
klass.respond_to?(:openapi_any_of) || klass.respond_to?(:openapi_one_of) ? klass.build(value) : klass.build_from_hash(value)
|
230
|
-
end
|
231
|
-
end
|
232
|
-
|
233
|
-
# Returns the string representation of the object
|
234
|
-
# @return [String] String presentation of the object
|
235
|
-
def to_s
|
236
|
-
to_hash.to_s
|
237
|
-
end
|
238
|
-
|
239
|
-
# to_body is an alias to to_hash (backward compatibility)
|
240
|
-
# @return [Hash] Returns the object in the form of hash
|
241
|
-
def to_body
|
242
|
-
to_hash
|
243
|
-
end
|
244
|
-
|
245
|
-
# Returns the object in the form of hash
|
246
|
-
# @return [Hash] Returns the object in the form of hash
|
247
|
-
def to_hash
|
248
|
-
hash = {}
|
249
|
-
self.class.attribute_map.each_pair do |attr, param|
|
250
|
-
value = self.send(attr)
|
251
|
-
if value.nil?
|
252
|
-
is_nullable = self.class.openapi_nullable.include?(attr)
|
253
|
-
next if !is_nullable || (is_nullable && !instance_variable_defined?(:"@#{attr}"))
|
254
|
-
end
|
255
|
-
|
256
|
-
hash[param] = _to_hash(value)
|
257
|
-
end
|
258
|
-
hash
|
259
|
-
end
|
260
|
-
|
261
|
-
# Outputs non-array value in the form of hash
|
262
|
-
# For object, use to_hash. Otherwise, just return the value
|
263
|
-
# @param [Object] value Any valid value
|
264
|
-
# @return [Hash] Returns the value in the form of hash
|
265
|
-
def _to_hash(value)
|
266
|
-
if value.is_a?(Array)
|
267
|
-
value.compact.map { |v| _to_hash(v) }
|
268
|
-
elsif value.is_a?(Hash)
|
269
|
-
{}.tap do |hash|
|
270
|
-
value.each { |k, v| hash[k] = _to_hash(v) }
|
271
|
-
end
|
272
|
-
elsif value.respond_to? :to_hash
|
273
|
-
value.to_hash
|
274
|
-
else
|
275
|
-
value
|
276
|
-
end
|
277
|
-
end
|
278
|
-
|
279
|
-
end
|
280
|
-
|
281
|
-
end
|