cheminee 0.1.9 → 0.1.11

checksums.yaml

@@ -1,7 +1,7 @@
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data/Gemfile.lock

@@ -1,7 +1,7 @@
 PATH
   remote: .
   specs:
-    cheminee (0.1.9)
+    cheminee (0.1.11)
       typhoeus (~> 1.0, >= 1.0.1)
 
 GEM

data/README.md

@@ -7,7 +7,7 @@ Cheminée: The Chemical Structure Search Engine
 This SDK is automatically generated by the [OpenAPI Generator](https://openapi-generator.tech) project:
 
 - API version: 1.0
-- Package version: 0.1.9
+- Package version: 0.1.11
 - Build package: org.openapitools.codegen.languages.RubyClientCodegen
 For more information, please visit [https://github.com/rdkit-rs/cheminee](https://github.com/rdkit-rs/cheminee)
 
@@ -24,16 +24,16 @@ gem build cheminee.gemspec
 Then either install the gem locally:
 
 ```shell
-gem install ./cheminee-0.1.9.gem
+gem install ./cheminee-0.1.11.gem
 ```
 
-(for development, run `gem install --dev ./cheminee-0.1.9.gem` to install the development dependencies)
+(for development, run `gem install --dev ./cheminee-0.1.11.gem` to install the development dependencies)
 
 or publish the gem to a gem hosting service, e.g. [RubyGems](https://rubygems.org/).
 
 Finally add this to the Gemfile:
 
-    gem 'cheminee', '~> 0.1.9'
+    gem 'cheminee', '~> 0.1.11'
 
 ### Install from Git
 
@@ -98,7 +98,8 @@ Class | Method | HTTP request | Description
  - [Cheminee::Schema](docs/Schema.md)
  - [Cheminee::Smile](docs/Smile.md)
  - [Cheminee::StandardizedSmile](docs/StandardizedSmile.md)
- - [Cheminee::SubstructureSearchHit](docs/SubstructureSearchHit.md)
+ - [Cheminee::StructureResponseError](docs/StructureResponseError.md)
+ - [Cheminee::StructureSearchHit](docs/StructureSearchHit.md)
 
 
 ## Documentation for Authorization

data/docs/DefaultApi.md

@@ -268,7 +268,7 @@ No authorization required
 
 ## v1_indexes_index_search_substructure_get
 
-> <Array<SubstructureSearchHit>> v1_indexes_index_search_substructure_get(index, q)
+> <Array<StructureSearchHit>> v1_indexes_index_search_substructure_get(index, smile, opts)
 
 Perform substructure search against index
 
@@ -280,11 +280,15 @@ require 'cheminee'
 
 api_instance = Cheminee::DefaultApi.new
 index = 'index_example' # String | 
-q = 'q_example' # String | 
+smile = 'smile_example' # String | 
+opts = {
+  result_limit: 56, # Integer | 
+  tautomer_limit: 56 # Integer | 
+}
 
 begin
   # Perform substructure search against index
-  result = api_instance.v1_indexes_index_search_substructure_get(index, q)
+  result = api_instance.v1_indexes_index_search_substructure_get(index, smile, opts)
   p result
 rescue Cheminee::ApiError => e
   puts "Error when calling DefaultApi->v1_indexes_index_search_substructure_get: #{e}"
@@ -295,15 +299,15 @@ end
 
 This returns an Array which contains the response data, status code and headers.
 
-> <Array(<Array<SubstructureSearchHit>>, Integer, Hash)> v1_indexes_index_search_substructure_get_with_http_info(index, q)
+> <Array(<Array<StructureSearchHit>>, Integer, Hash)> v1_indexes_index_search_substructure_get_with_http_info(index, smile, opts)
 
 ```ruby
 begin
   # Perform substructure search against index
-  data, status_code, headers = api_instance.v1_indexes_index_search_substructure_get_with_http_info(index, q)
+  data, status_code, headers = api_instance.v1_indexes_index_search_substructure_get_with_http_info(index, smile, opts)
   p status_code # => 2xx
   p headers # => { ... }
-  p data # => <Array<SubstructureSearchHit>>
+  p data # => <Array<StructureSearchHit>>
 rescue Cheminee::ApiError => e
   puts "Error when calling DefaultApi->v1_indexes_index_search_substructure_get_with_http_info: #{e}"
 end
@@ -314,11 +318,13 @@ end
 | Name | Type | Description | Notes |
 | ---- | ---- | ----------- | ----- |
 | **index** | **String** |  |  |
-| **q** | **String** |  |  |
+| **smile** | **String** |  |  |
+| **result_limit** | **Integer** |  | [optional] |
+| **tautomer_limit** | **Integer** |  | [optional] |
 
 ### Return type
 
-[**Array&lt;SubstructureSearchHit&gt;**](SubstructureSearchHit.md)
+[**Array&lt;StructureSearchHit&gt;**](StructureSearchHit.md)
 
 ### Authorization
 

data/docs/StructureResponseError.md

@@ -0,0 +1,18 @@
+# Cheminee::StructureResponseError
+
+## Properties
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **error** | **String** |  |  |
+
+## Example
+
+```ruby
+require 'cheminee'
+
+instance = Cheminee::StructureResponseError.new(
+  error: null
+)
+```
+

data/docs/StructureSearchHit.md

@@ -0,0 +1,26 @@
+# Cheminee::StructureSearchHit
+
+## Properties
+
+| Name | Type | Description | Notes |
+| ---- | ---- | ----------- | ----- |
+| **extra_data** | **Object** |  |  |
+| **smiles** | **String** |  |  |
+| **score** | **Float** |  |  |
+| **query** | **String** |  |  |
+| **used_tautomers** | **Boolean** |  |  |
+
+## Example
+
+```ruby
+require 'cheminee'
+
+instance = Cheminee::StructureSearchHit.new(
+  extra_data: null,
+  smiles: null,
+  score: null,
+  query: null,
+  used_tautomers: null
+)
+```
+

data/lib/cheminee/api/default_api.rb

@@ -280,20 +280,24 @@ module Cheminee
 
     # Perform substructure search against index
     # @param index [String] 
-    # @param q [String] 
+    # @param smile [String] 
     # @param [Hash] opts the optional parameters
-    # @return [Array<SubstructureSearchHit>]
-    def v1_indexes_index_search_substructure_get(index, q, opts = {})
-      data, _status_code, _headers = v1_indexes_index_search_substructure_get_with_http_info(index, q, opts)
+    # @option opts [Integer] :result_limit 
+    # @option opts [Integer] :tautomer_limit 
+    # @return [Array<StructureSearchHit>]
+    def v1_indexes_index_search_substructure_get(index, smile, opts = {})
+      data, _status_code, _headers = v1_indexes_index_search_substructure_get_with_http_info(index, smile, opts)
       data
     end
 
     # Perform substructure search against index
     # @param index [String] 
-    # @param q [String] 
+    # @param smile [String] 
     # @param [Hash] opts the optional parameters
-    # @return [Array<(Array<SubstructureSearchHit>, Integer, Hash)>] Array<SubstructureSearchHit> data, response status code and response headers
-    def v1_indexes_index_search_substructure_get_with_http_info(index, q, opts = {})
+    # @option opts [Integer] :result_limit 
+    # @option opts [Integer] :tautomer_limit 
+    # @return [Array<(Array<StructureSearchHit>, Integer, Hash)>] Array<StructureSearchHit> data, response status code and response headers
+    def v1_indexes_index_search_substructure_get_with_http_info(index, smile, opts = {})
       if @api_client.config.debugging
         @api_client.config.logger.debug 'Calling API: DefaultApi.v1_indexes_index_search_substructure_get ...'
       end
@@ -301,16 +305,18 @@ module Cheminee
       if @api_client.config.client_side_validation && index.nil?
         fail ArgumentError, "Missing the required parameter 'index' when calling DefaultApi.v1_indexes_index_search_substructure_get"
       end
-      # verify the required parameter 'q' is set
-      if @api_client.config.client_side_validation && q.nil?
-        fail ArgumentError, "Missing the required parameter 'q' when calling DefaultApi.v1_indexes_index_search_substructure_get"
+      # verify the required parameter 'smile' is set
+      if @api_client.config.client_side_validation && smile.nil?
+        fail ArgumentError, "Missing the required parameter 'smile' when calling DefaultApi.v1_indexes_index_search_substructure_get"
       end
       # resource path
       local_var_path = '/v1/indexes/{index}/search/substructure'.sub('{' + 'index' + '}', CGI.escape(index.to_s))
 
       # query parameters
       query_params = opts[:query_params] || {}
-      query_params[:'q'] = q
+      query_params[:'smile'] = smile
+      query_params[:'result_limit'] = opts[:'result_limit'] if !opts[:'result_limit'].nil?
+      query_params[:'tautomer_limit'] = opts[:'tautomer_limit'] if !opts[:'tautomer_limit'].nil?
 
       # header parameters
       header_params = opts[:header_params] || {}
@@ -324,7 +330,7 @@ module Cheminee
       post_body = opts[:debug_body]
 
       # return_type
-      return_type = opts[:debug_return_type] || 'Array<SubstructureSearchHit>'
+      return_type = opts[:debug_return_type] || 'Array<StructureSearchHit>'
 
       # auth_names
       auth_names = opts[:debug_auth_names] || []

data/lib/cheminee/models/structure_response_error.rb

@@ -0,0 +1,221 @@
+=begin
+#Cheminée
+
+#Cheminée: The Chemical Structure Search Engine
+
+The version of the OpenAPI document: 1.0
+
+Generated by: https://openapi-generator.tech
+OpenAPI Generator version: 7.1.0-SNAPSHOT
+
+=end
+
+require 'date'
+require 'time'
+
+module Cheminee
+  class StructureResponseError
+    attr_accessor :error
+
+    # Attribute mapping from ruby-style variable name to JSON key.
+    def self.attribute_map
+      {
+        :'error' => :'error'
+      }
+    end
+
+    # Returns all the JSON keys this model knows about
+    def self.acceptable_attributes
+      attribute_map.values
+    end
+
+    # Attribute type mapping.
+    def self.openapi_types
+      {
+        :'error' => :'String'
+      }
+    end
+
+    # List of attributes with nullable: true
+    def self.openapi_nullable
+      Set.new([
+      ])
+    end
+
+    # Initializes the object
+    # @param [Hash] attributes Model attributes in the form of hash
+    def initialize(attributes = {})
+      if (!attributes.is_a?(Hash))
+        fail ArgumentError, "The input argument (attributes) must be a hash in `Cheminee::StructureResponseError` initialize method"
+      end
+
+      # check to see if the attribute exists and convert string to symbol for hash key
+      attributes = attributes.each_with_object({}) { |(k, v), h|
+        if (!self.class.attribute_map.key?(k.to_sym))
+          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
+        end
+        h[k.to_sym] = v
+      }
+
+      if attributes.key?(:'error')
+        self.error = attributes[:'error']
+      else
+        self.error = nil
+      end
+    end
+
+    # Show invalid properties with the reasons. Usually used together with valid?
+    # @return Array for valid properties with the reasons
+    def list_invalid_properties
+      warn '[DEPRECATED] the `list_invalid_properties` method is obsolete'
+      invalid_properties = Array.new
+      if @error.nil?
+        invalid_properties.push('invalid value for "error", error cannot be nil.')
+      end
+
+      invalid_properties
+    end
+
+    # Check to see if the all the properties in the model are valid
+    # @return true if the model is valid
+    def valid?
+      warn '[DEPRECATED] the `valid?` method is obsolete'
+      return false if @error.nil?
+      true
+    end
+
+    # Checks equality by comparing each attribute.
+    # @param [Object] Object to be compared
+    def ==(o)
+      return true if self.equal?(o)
+      self.class == o.class &&
+          error == o.error
+    end
+
+    # @see the `==` method
+    # @param [Object] Object to be compared
+    def eql?(o)
+      self == o
+    end
+
+    # Calculates hash code according to all attributes.
+    # @return [Integer] Hash code
+    def hash
+      [error].hash
+    end
+
+    # Builds the object from hash
+    # @param [Hash] attributes Model attributes in the form of hash
+    # @return [Object] Returns the model itself
+    def self.build_from_hash(attributes)
+      return nil unless attributes.is_a?(Hash)
+      attributes = attributes.transform_keys(&:to_sym)
+      transformed_hash = {}
+      openapi_types.each_pair do |key, type|
+        if attributes.key?(attribute_map[key]) && attributes[attribute_map[key]].nil?
+          transformed_hash["#{key}"] = nil
+        elsif type =~ /\AArray<(.*)>/i
+          # check to ensure the input is an array given that the attribute
+          # is documented as an array but the input is not
+          if attributes[attribute_map[key]].is_a?(Array)
+            transformed_hash["#{key}"] = attributes[attribute_map[key]].map { |v| _deserialize($1, v) }
+          end
+        elsif !attributes[attribute_map[key]].nil?
+          transformed_hash["#{key}"] = _deserialize(type, attributes[attribute_map[key]])
+        end
+      end
+      new(transformed_hash)
+    end
+
+    # Deserializes the data based on type
+    # @param string type Data type
+    # @param string value Value to be deserialized
+    # @return [Object] Deserialized data
+    def self._deserialize(type, value)
+      case type.to_sym
+      when :Time
+        Time.parse(value)
+      when :Date
+        Date.parse(value)
+      when :String
+        value.to_s
+      when :Integer
+        value.to_i
+      when :Float
+        value.to_f
+      when :Boolean
+        if value.to_s =~ /\A(true|t|yes|y|1)\z/i
+          true
+        else
+          false
+        end
+      when :Object
+        # generic object (usually a Hash), return directly
+        value
+      when /\AArray<(?<inner_type>.+)>\z/
+        inner_type = Regexp.last_match[:inner_type]
+        value.map { |v| _deserialize(inner_type, v) }
+      when /\AHash<(?<k_type>.+?), (?<v_type>.+)>\z/
+        k_type = Regexp.last_match[:k_type]
+        v_type = Regexp.last_match[:v_type]
+        {}.tap do |hash|
+          value.each do |k, v|
+            hash[_deserialize(k_type, k)] = _deserialize(v_type, v)
+          end
+        end
+      else # model
+        # models (e.g. Pet) or oneOf
+        klass = Cheminee.const_get(type)
+        klass.respond_to?(:openapi_one_of) ? klass.build(value) : klass.build_from_hash(value)
+      end
+    end
+
+    # Returns the string representation of the object
+    # @return [String] String presentation of the object
+    def to_s
+      to_hash.to_s
+    end
+
+    # to_body is an alias to to_hash (backward compatibility)
+    # @return [Hash] Returns the object in the form of hash
+    def to_body
+      to_hash
+    end
+
+    # Returns the object in the form of hash
+    # @return [Hash] Returns the object in the form of hash
+    def to_hash
+      hash = {}
+      self.class.attribute_map.each_pair do |attr, param|
+        value = self.send(attr)
+        if value.nil?
+          is_nullable = self.class.openapi_nullable.include?(attr)
+          next if !is_nullable || (is_nullable && !instance_variable_defined?(:"@#{attr}"))
+        end
+
+        hash[param] = _to_hash(value)
+      end
+      hash
+    end
+
+    # Outputs non-array value in the form of hash
+    # For object, use to_hash. Otherwise, just return the value
+    # @param [Object] value Any valid value
+    # @return [Hash] Returns the value in the form of hash
+    def _to_hash(value)
+      if value.is_a?(Array)
+        value.compact.map { |v| _to_hash(v) }
+      elsif value.is_a?(Hash)
+        {}.tap do |hash|
+          value.each { |k, v| hash[k] = _to_hash(v) }
+        end
+      elsif value.respond_to? :to_hash
+        value.to_hash
+      else
+        value
+      end
+    end
+
+  end
+
+end

data/lib/cheminee/models/structure_search_hit.rb

@@ -0,0 +1,281 @@
+=begin
+#Cheminée
+
+#Cheminée: The Chemical Structure Search Engine
+
+The version of the OpenAPI document: 1.0
+
+Generated by: https://openapi-generator.tech
+OpenAPI Generator version: 7.1.0-SNAPSHOT
+
+=end
+
+require 'date'
+require 'time'
+
+module Cheminee
+  class StructureSearchHit
+    attr_accessor :extra_data
+
+    attr_accessor :smiles
+
+    attr_accessor :score
+
+    attr_accessor :query
+
+    attr_accessor :used_tautomers
+
+    # Attribute mapping from ruby-style variable name to JSON key.
+    def self.attribute_map
+      {
+        :'extra_data' => :'extra_data',
+        :'smiles' => :'smiles',
+        :'score' => :'score',
+        :'query' => :'query',
+        :'used_tautomers' => :'used_tautomers'
+      }
+    end
+
+    # Returns all the JSON keys this model knows about
+    def self.acceptable_attributes
+      attribute_map.values
+    end
+
+    # Attribute type mapping.
+    def self.openapi_types
+      {
+        :'extra_data' => :'Object',
+        :'smiles' => :'String',
+        :'score' => :'Float',
+        :'query' => :'String',
+        :'used_tautomers' => :'Boolean'
+      }
+    end
+
+    # List of attributes with nullable: true
+    def self.openapi_nullable
+      Set.new([
+        :'extra_data',
+      ])
+    end
+
+    # Initializes the object
+    # @param [Hash] attributes Model attributes in the form of hash
+    def initialize(attributes = {})
+      if (!attributes.is_a?(Hash))
+        fail ArgumentError, "The input argument (attributes) must be a hash in `Cheminee::StructureSearchHit` initialize method"
+      end
+
+      # check to see if the attribute exists and convert string to symbol for hash key
+      attributes = attributes.each_with_object({}) { |(k, v), h|
+        if (!self.class.attribute_map.key?(k.to_sym))
+          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
+        end
+        h[k.to_sym] = v
+      }
+
+      if attributes.key?(:'extra_data')
+        self.extra_data = attributes[:'extra_data']
+      else
+        self.extra_data = nil
+      end
+
+      if attributes.key?(:'smiles')
+        self.smiles = attributes[:'smiles']
+      else
+        self.smiles = nil
+      end
+
+      if attributes.key?(:'score')
+        self.score = attributes[:'score']
+      else
+        self.score = nil
+      end
+
+      if attributes.key?(:'query')
+        self.query = attributes[:'query']
+      else
+        self.query = nil
+      end
+
+      if attributes.key?(:'used_tautomers')
+        self.used_tautomers = attributes[:'used_tautomers']
+      else
+        self.used_tautomers = nil
+      end
+    end
+
+    # Show invalid properties with the reasons. Usually used together with valid?
+    # @return Array for valid properties with the reasons
+    def list_invalid_properties
+      warn '[DEPRECATED] the `list_invalid_properties` method is obsolete'
+      invalid_properties = Array.new
+      if @smiles.nil?
+        invalid_properties.push('invalid value for "smiles", smiles cannot be nil.')
+      end
+
+      if @score.nil?
+        invalid_properties.push('invalid value for "score", score cannot be nil.')
+      end
+
+      if @query.nil?
+        invalid_properties.push('invalid value for "query", query cannot be nil.')
+      end
+
+      if @used_tautomers.nil?
+        invalid_properties.push('invalid value for "used_tautomers", used_tautomers cannot be nil.')
+      end
+
+      invalid_properties
+    end
+
+    # Check to see if the all the properties in the model are valid
+    # @return true if the model is valid
+    def valid?
+      warn '[DEPRECATED] the `valid?` method is obsolete'
+      return false if @smiles.nil?
+      return false if @score.nil?
+      return false if @query.nil?
+      return false if @used_tautomers.nil?
+      true
+    end
+
+    # Checks equality by comparing each attribute.
+    # @param [Object] Object to be compared
+    def ==(o)
+      return true if self.equal?(o)
+      self.class == o.class &&
+          extra_data == o.extra_data &&
+          smiles == o.smiles &&
+          score == o.score &&
+          query == o.query &&
+          used_tautomers == o.used_tautomers
+    end
+
+    # @see the `==` method
+    # @param [Object] Object to be compared
+    def eql?(o)
+      self == o
+    end
+
+    # Calculates hash code according to all attributes.
+    # @return [Integer] Hash code
+    def hash
+      [extra_data, smiles, score, query, used_tautomers].hash
+    end
+
+    # Builds the object from hash
+    # @param [Hash] attributes Model attributes in the form of hash
+    # @return [Object] Returns the model itself
+    def self.build_from_hash(attributes)
+      return nil unless attributes.is_a?(Hash)
+      attributes = attributes.transform_keys(&:to_sym)
+      transformed_hash = {}
+      openapi_types.each_pair do |key, type|
+        if attributes.key?(attribute_map[key]) && attributes[attribute_map[key]].nil?
+          transformed_hash["#{key}"] = nil
+        elsif type =~ /\AArray<(.*)>/i
+          # check to ensure the input is an array given that the attribute
+          # is documented as an array but the input is not
+          if attributes[attribute_map[key]].is_a?(Array)
+            transformed_hash["#{key}"] = attributes[attribute_map[key]].map { |v| _deserialize($1, v) }
+          end
+        elsif !attributes[attribute_map[key]].nil?
+          transformed_hash["#{key}"] = _deserialize(type, attributes[attribute_map[key]])
+        end
+      end
+      new(transformed_hash)
+    end
+
+    # Deserializes the data based on type
+    # @param string type Data type
+    # @param string value Value to be deserialized
+    # @return [Object] Deserialized data
+    def self._deserialize(type, value)
+      case type.to_sym
+      when :Time
+        Time.parse(value)
+      when :Date
+        Date.parse(value)
+      when :String
+        value.to_s
+      when :Integer
+        value.to_i
+      when :Float
+        value.to_f
+      when :Boolean
+        if value.to_s =~ /\A(true|t|yes|y|1)\z/i
+          true
+        else
+          false
+        end
+      when :Object
+        # generic object (usually a Hash), return directly
+        value
+      when /\AArray<(?<inner_type>.+)>\z/
+        inner_type = Regexp.last_match[:inner_type]
+        value.map { |v| _deserialize(inner_type, v) }
+      when /\AHash<(?<k_type>.+?), (?<v_type>.+)>\z/
+        k_type = Regexp.last_match[:k_type]
+        v_type = Regexp.last_match[:v_type]
+        {}.tap do |hash|
+          value.each do |k, v|
+            hash[_deserialize(k_type, k)] = _deserialize(v_type, v)
+          end
+        end
+      else # model
+        # models (e.g. Pet) or oneOf
+        klass = Cheminee.const_get(type)
+        klass.respond_to?(:openapi_one_of) ? klass.build(value) : klass.build_from_hash(value)
+      end
+    end
+
+    # Returns the string representation of the object
+    # @return [String] String presentation of the object
+    def to_s
+      to_hash.to_s
+    end
+
+    # to_body is an alias to to_hash (backward compatibility)
+    # @return [Hash] Returns the object in the form of hash
+    def to_body
+      to_hash
+    end
+
+    # Returns the object in the form of hash
+    # @return [Hash] Returns the object in the form of hash
+    def to_hash
+      hash = {}
+      self.class.attribute_map.each_pair do |attr, param|
+        value = self.send(attr)
+        if value.nil?
+          is_nullable = self.class.openapi_nullable.include?(attr)
+          next if !is_nullable || (is_nullable && !instance_variable_defined?(:"@#{attr}"))
+        end
+
+        hash[param] = _to_hash(value)
+      end
+      hash
+    end
+
+    # Outputs non-array value in the form of hash
+    # For object, use to_hash. Otherwise, just return the value
+    # @param [Object] value Any valid value
+    # @return [Hash] Returns the value in the form of hash
+    def _to_hash(value)
+      if value.is_a?(Array)
+        value.compact.map { |v| _to_hash(v) }
+      elsif value.is_a?(Hash)
+        {}.tap do |hash|
+          value.each { |k, v| hash[k] = _to_hash(v) }
+        end
+      elsif value.respond_to? :to_hash
+        value.to_hash
+      else
+        value
+      end
+    end
+
+  end
+
+end

data/lib/cheminee/version.rb

@@ -11,5 +11,5 @@ OpenAPI Generator version: 7.1.0-SNAPSHOT
 =end
 
 module Cheminee
-  VERSION = '0.1.9'
+  VERSION = '0.1.11'
 end

data/lib/cheminee.rb

@@ -29,7 +29,8 @@ require 'cheminee/models/post_index_bulk_response_ok_status'
 require 'cheminee/models/schema'
 require 'cheminee/models/smile'
 require 'cheminee/models/standardized_smile'
-require 'cheminee/models/substructure_search_hit'
+require 'cheminee/models/structure_response_error'
+require 'cheminee/models/structure_search_hit'
 
 # APIs
 require 'cheminee/api/default_api'

data/spec/models/structure_response_error_spec.rb

@@ -0,0 +1,36 @@
+=begin
+#Cheminée
+
+#Cheminée: The Chemical Structure Search Engine
+
+The version of the OpenAPI document: 1.0
+
+Generated by: https://openapi-generator.tech
+OpenAPI Generator version: 7.1.0-SNAPSHOT
+
+=end
+
+require 'spec_helper'
+require 'json'
+require 'date'
+
+# Unit tests for Cheminee::StructureResponseError
+# Automatically generated by openapi-generator (https://openapi-generator.tech)
+# Please update as you see appropriate
+describe Cheminee::StructureResponseError do
+  let(:instance) { Cheminee::StructureResponseError.new }
+
+  describe 'test an instance of StructureResponseError' do
+    it 'should create an instance of StructureResponseError' do
+      # uncomment below to test the instance creation
+      #expect(instance).to be_instance_of(Cheminee::StructureResponseError)
+    end
+  end
+
+  describe 'test attribute "error"' do
+    it 'should work' do
+      # assertion here. ref: https://rspec.info/features/3-12/rspec-expectations/built-in-matchers/
+    end
+  end
+
+end

data/spec/models/structure_search_hit_spec.rb

@@ -0,0 +1,60 @@
+=begin
+#Cheminée
+
+#Cheminée: The Chemical Structure Search Engine
+
+The version of the OpenAPI document: 1.0
+
+Generated by: https://openapi-generator.tech
+OpenAPI Generator version: 7.1.0-SNAPSHOT
+
+=end
+
+require 'spec_helper'
+require 'json'
+require 'date'
+
+# Unit tests for Cheminee::StructureSearchHit
+# Automatically generated by openapi-generator (https://openapi-generator.tech)
+# Please update as you see appropriate
+describe Cheminee::StructureSearchHit do
+  let(:instance) { Cheminee::StructureSearchHit.new }
+
+  describe 'test an instance of StructureSearchHit' do
+    it 'should create an instance of StructureSearchHit' do
+      # uncomment below to test the instance creation
+      #expect(instance).to be_instance_of(Cheminee::StructureSearchHit)
+    end
+  end
+
+  describe 'test attribute "extra_data"' do
+    it 'should work' do
+      # assertion here. ref: https://rspec.info/features/3-12/rspec-expectations/built-in-matchers/
+    end
+  end
+
+  describe 'test attribute "smiles"' do
+    it 'should work' do
+      # assertion here. ref: https://rspec.info/features/3-12/rspec-expectations/built-in-matchers/
+    end
+  end
+
+  describe 'test attribute "score"' do
+    it 'should work' do
+      # assertion here. ref: https://rspec.info/features/3-12/rspec-expectations/built-in-matchers/
+    end
+  end
+
+  describe 'test attribute "query"' do
+    it 'should work' do
+      # assertion here. ref: https://rspec.info/features/3-12/rspec-expectations/built-in-matchers/
+    end
+  end
+
+  describe 'test attribute "used_tautomers"' do
+    it 'should work' do
+      # assertion here. ref: https://rspec.info/features/3-12/rspec-expectations/built-in-matchers/
+    end
+  end
+
+end

metadata

@@ -1,14 +1,14 @@
 --- !ruby/object:Gem::Specification
 name: cheminee
 version: !ruby/object:Gem::Version
-  version: 0.1.9
+  version: 0.1.11
 platform: ruby
 authors:
 - Xavier Lange
 autorequire: 
 bindir: bin
 cert_chain: []
-date: 2023-10-19 00:00:00.000000000 Z
+date: 2023-10-20 00:00:00.000000000 Z
 dependencies:
 - !ruby/object:Gem::Dependency
   name: typhoeus
@@ -75,6 +75,8 @@ files:
 - docs/Schema.md
 - docs/Smile.md
 - docs/StandardizedSmile.md
+- docs/StructureResponseError.md
+- docs/StructureSearchHit.md
 - docs/SubstructureSearchHit.md
 - git_push.sh
 - lib/cheminee.rb
@@ -94,11 +96,13 @@ files:
 - lib/cheminee/models/schema.rb
 - lib/cheminee/models/smile.rb
 - lib/cheminee/models/standardized_smile.rb
+- lib/cheminee/models/structure_response_error.rb
+- lib/cheminee/models/structure_search_hit.rb
 - lib/cheminee/models/substructure_search_hit.rb
 - lib/cheminee/version.rb
 - openapi-generator-config.json
 - openapi.json
-- pkg/cheminee-0.1.9.gem
+- pkg/cheminee-0.1.11.gem
 - spec/api/default_api_spec.rb
 - spec/api_client_spec.rb
 - spec/configuration_spec.rb
@@ -114,6 +118,8 @@ files:
 - spec/models/schema_spec.rb
 - spec/models/smile_spec.rb
 - spec/models/standardized_smile_spec.rb
+- spec/models/structure_response_error_spec.rb
+- spec/models/structure_search_hit_spec.rb
 - spec/models/substructure_search_hit_spec.rb
 - spec/spec_helper.rb
 homepage: https://github.com/rdkit-rs/cheminee-ruby
@@ -147,12 +153,14 @@ test_files:
 - spec/models/post_index_bulk_response_error_spec.rb
 - spec/models/standardized_smile_spec.rb
 - spec/models/smile_spec.rb
+- spec/models/structure_response_error_spec.rb
 - spec/models/get_indexes_response_error_spec.rb
 - spec/models/bulk_request_spec.rb
 - spec/models/substructure_search_hit_spec.rb
 - spec/models/bulk_request_doc_spec.rb
 - spec/models/post_index_bulk_response_ok_status_spec.rb
 - spec/models/schema_spec.rb
+- spec/models/structure_search_hit_spec.rb
 - spec/models/list_index_response_err_spec.rb
 - spec/models/index_meta_spec.rb
 - spec/models/create_index_error_spec.rb