chemicalml 0.2.0 → 0.3.0

data/lib/chemicalml/cml/base/unit.rb

@@ -7,6 +7,8 @@ module Chemicalml
         def self.included(klass)
           klass.class_eval do
             include Chemicalml::Cml::Role::Unit
+            include Chemicalml::Cml::Base::CommonChildren
+
             attribute :id, :string
             attribute :title, :string
             attribute :symbol, :string
@@ -17,18 +19,51 @@ module Chemicalml
             attribute :definition, :string
             attribute :description, :string
 
+            attribute :units, :string
+            attribute :name, :string
+            attribute :is_s_i, :string
+            attribute :multiplier_to_data, :string
+            attribute :power, :string
+            attribute :abbreviation, :string
             xml do
               namespace Chemicalml::Cml::Namespace
-              root "unit"
-              map_attribute "id", to: :id
-              map_attribute "title", to: :title
-              map_attribute "symbol", to: :symbol
-              map_attribute "parentSI", to: :parent_si
-              map_attribute "multiplierToSI", to: :multiplier_to_si
-              map_attribute "constantToSI", to: :constant_to_si
-              map_attribute "unitType", to: :unit_type
-              map_element "definition", to: :definition
-              map_element "description", to: :description
+              root 'unit'
+              map_attribute 'id', to: :id
+              map_attribute 'title', to: :title
+              map_attribute 'symbol', to: :symbol
+              map_attribute 'parentSI', to: :parent_si
+              map_attribute 'multiplierToSI', to: :multiplier_to_si
+              map_attribute 'constantToSI', to: :constant_to_si
+              map_attribute 'unitType', to: :unit_type
+              map_element 'definition', to: :definition
+              map_element 'description', to: :description
+              map_attribute 'units', to: :units
+              map_attribute 'name', to: :name
+              map_attribute 'isSI', to: :is_s_i
+              map_attribute 'multiplierToData', to: :multiplier_to_data
+              map_attribute 'power', to: :power
+              map_attribute 'abbreviation', to: :abbreviation
+            end
+            key_value do
+              map 'metadataList', to: :metadata_lists
+              map 'label', to: :labels
+              map 'name', to: :names
+              map 'description', to: :descriptions
+              map 'definition', to: :definition
+              map 'description', to: :description
+              map 'id', to: :id
+              map 'title', to: :title
+              map 'symbol', to: :symbol
+              map 'parentSI', to: :parent_si
+              map 'multiplierToSI', to: :multiplier_to_si
+              map 'constantToSI', to: :constant_to_si
+              map 'unitType', to: :unit_type
+              map 'units', to: :units
+              map 'name', to: :name
+              map 'isSI', to: :is_s_i
+              map 'multiplierToData', to: :multiplier_to_data
+              map 'power', to: :power
+              map 'abbreviation', to: :abbreviation
             end
           end
         end

data/lib/chemicalml/cml/base/unit_list.rb

@@ -7,20 +7,54 @@ module Chemicalml
         def self.included(klass)
           klass.class_eval do
             include Chemicalml::Cml::Role::UnitList
+            include Chemicalml::Cml::Base::CommonChildren
+
             attribute :title, :string
             attribute :namespace, :string
             attribute :convention, :string
             attribute :description, :string
             attribute :units, :unit, collection: true
 
+            attribute :id, :string
+            attribute :dict_ref, :string
+            attribute :si_namespace, :string
+            attribute :dictionary_prefix, :string
+            attribute :href, :string
+            attribute :unit_list_type, :string
+            attribute :type, :string
             xml do
               namespace Chemicalml::Cml::Namespace
-              root "unitList"
-              map_attribute "title", to: :title
-              map_attribute "namespace", to: :namespace
-              map_attribute "convention", to: :convention
-              map_element "description", to: :description
-              map_element "unit", to: :units
+              root 'unitList'
+              map_attribute 'title', to: :title
+              map_attribute 'namespace', to: :namespace
+              map_attribute 'convention', to: :convention
+              map_element 'description', to: :description
+              map_element 'unit', to: :units
+              map_attribute 'id', to: :id
+              map_attribute 'dictRef', to: :dict_ref
+              map_attribute 'siNamespace', to: :si_namespace
+              map_attribute 'dictionaryPrefix', to: :dictionary_prefix
+              map_attribute 'href', to: :href
+              map_attribute 'unitListType', to: :unit_list_type
+              map_attribute 'type', to: :type
+            end
+            key_value do
+              map 'metadataList', to: :metadata_lists
+              map 'label', to: :labels
+              map 'name', to: :names
+              map 'description', to: :descriptions
+              map 'description', to: :description
+              map 'unit', to: :units
+              map 'title', to: :title
+              map 'namespace', to: :namespace
+              map 'convention', to: :convention
+              map 'id', to: :id
+              map 'dictRef', to: :dict_ref
+              map 'siNamespace', to: :si_namespace
+              map 'dictionaryPrefix', to: :dictionary_prefix
+              map 'href', to: :href
+              map 'unitListType', to: :unit_list_type
+              map 'type', to: :type
             end
           end
         end

data/lib/chemicalml/cml/base/unit_type.rb

@@ -7,18 +7,45 @@ module Chemicalml
         def self.included(klass)
           klass.class_eval do
             include Chemicalml::Cml::Role::UnitType
+            include Chemicalml::Cml::Base::CommonChildren
+
             attribute :id, :string
             attribute :name, :string
             attribute :definition, :string
             attribute :description, :string
 
+            attribute :title, :string
+            attribute :parent_s_i, :string
+            attribute :abbreviation, :string
+            attribute :preserve, :string
+            attribute :symbol, :string
             xml do
               namespace Chemicalml::Cml::Namespace
-              root "unitType"
-              map_attribute "id", to: :id
-              map_attribute "name", to: :name
-              map_element "definition", to: :definition
-              map_element "description", to: :description
+              root 'unitType'
+              map_attribute 'id', to: :id
+              map_attribute 'name', to: :name
+              map_element 'definition', to: :definition
+              map_element 'description', to: :description
+              map_attribute 'title', to: :title
+              map_attribute 'parentSI', to: :parent_s_i
+              map_attribute 'abbreviation', to: :abbreviation
+              map_attribute 'preserve', to: :preserve
+              map_attribute 'symbol', to: :symbol
+            end
+            key_value do
+              map 'metadataList', to: :metadata_lists
+              map 'label', to: :labels
+              map 'name', to: :names
+              map 'description', to: :descriptions
+              map 'definition', to: :definition
+              map 'description', to: :description
+              map 'id', to: :id
+              map 'name', to: :name
+              map 'title', to: :title
+              map 'parentSI', to: :parent_s_i
+              map 'abbreviation', to: :abbreviation
+              map 'preserve', to: :preserve
+              map 'symbol', to: :symbol
             end
           end
         end

data/lib/chemicalml/cml/base/unit_type_list.rb

@@ -7,20 +7,48 @@ module Chemicalml
         def self.included(klass)
           klass.class_eval do
             include Chemicalml::Cml::Role::UnitTypeList
+            include Chemicalml::Cml::Base::CommonChildren
+
             attribute :title, :string
             attribute :namespace, :string
             attribute :convention, :string
             attribute :description, :string
             attribute :unit_types, :unitType, collection: true
 
+            attribute :id, :string
+            attribute :dict_ref, :string
+            attribute :si_namespace, :string
+            attribute :dictionary_prefix, :string
+            attribute :href, :string
             xml do
               namespace Chemicalml::Cml::Namespace
-              root "unitTypeList"
-              map_attribute "title", to: :title
-              map_attribute "namespace", to: :namespace
-              map_attribute "convention", to: :convention
-              map_element "description", to: :description
-              map_element "unitType", to: :unit_types
+              root 'unitTypeList'
+              map_attribute 'title', to: :title
+              map_attribute 'namespace', to: :namespace
+              map_attribute 'convention', to: :convention
+              map_element 'description', to: :description
+              map_element 'unitType', to: :unit_types
+              map_attribute 'id', to: :id
+              map_attribute 'dictRef', to: :dict_ref
+              map_attribute 'siNamespace', to: :si_namespace
+              map_attribute 'dictionaryPrefix', to: :dictionary_prefix
+              map_attribute 'href', to: :href
+            end
+            key_value do
+              map 'metadataList', to: :metadata_lists
+              map 'label', to: :labels
+              map 'name', to: :names
+              map 'description', to: :descriptions
+              map 'description', to: :description
+              map 'unitType', to: :unit_types
+              map 'title', to: :title
+              map 'namespace', to: :namespace
+              map 'convention', to: :convention
+              map 'id', to: :id
+              map 'dictRef', to: :dict_ref
+              map 'siNamespace', to: :si_namespace
+              map 'dictionaryPrefix', to: :dictionary_prefix
+              map 'href', to: :href
             end
           end
         end

data/lib/chemicalml/cml/base/vector3.rb

@@ -7,20 +7,30 @@ module Chemicalml
         def self.included(klass)
           klass.class_eval do
             include Chemicalml::Cml::Role::Vector3
+
             attribute :id, :string
             attribute :title, :string
             attribute :dict_ref, :string
             attribute :convention, :string
             attribute :content, :string
 
+            attribute :units, :string
             xml do
               namespace Chemicalml::Cml::Namespace
-              root "vector3"
-              map_attribute "id", to: :id
-              map_attribute "title", to: :title
-              map_attribute "dictRef", to: :dict_ref
-              map_attribute "convention", to: :convention
+              root 'vector3'
+              map_attribute 'id', to: :id
+              map_attribute 'title', to: :title
+              map_attribute 'dictRef', to: :dict_ref
+              map_attribute 'convention', to: :convention
               map_content to: :content
+              map_attribute 'units', to: :units
+            end
+            key_value do
+              map 'id', to: :id
+              map 'title', to: :title
+              map 'dictRef', to: :dict_ref
+              map 'convention', to: :convention
+              map 'units', to: :units
             end
           end
         end

data/lib/chemicalml/cml/base/xaxis.rb

@@ -7,6 +7,8 @@ module Chemicalml
         def self.included(klass)
           klass.class_eval do
             include Chemicalml::Cml::Role::Xaxis
+            include Chemicalml::Cml::Base::CommonChildren
+
             attribute :id, :string
             attribute :title, :string
             attribute :dict_ref, :string
@@ -14,15 +16,39 @@ module Chemicalml
             attribute :units, :string
             attribute :multiplier, :string
 
+            attribute :ref, :string
+            attribute :multiplier_to_data, :string
+            attribute :constant_to_data, :string
+            attribute :arrays, :array, collection: true
             xml do
               namespace Chemicalml::Cml::Namespace
-              root "xaxis"
-              map_attribute "id", to: :id
-              map_attribute "title", to: :title
-              map_attribute "dictRef", to: :dict_ref
-              map_attribute "convention", to: :convention
-              map_attribute "units", to: :units
-              map_attribute "multiplier", to: :multiplier
+              root 'xaxis'
+              map_attribute 'id', to: :id
+              map_attribute 'title', to: :title
+              map_attribute 'dictRef', to: :dict_ref
+              map_attribute 'convention', to: :convention
+              map_attribute 'units', to: :units
+              map_attribute 'multiplier', to: :multiplier
+              map_attribute 'ref', to: :ref
+              map_attribute 'multiplierToData', to: :multiplier_to_data
+              map_attribute 'constantToData', to: :constant_to_data
+              map_element 'array', to: :arrays
+            end
+            key_value do
+              map 'metadataList', to: :metadata_lists
+              map 'label', to: :labels
+              map 'name', to: :names
+              map 'description', to: :descriptions
+              map 'array', to: :arrays
+              map 'id', to: :id
+              map 'title', to: :title
+              map 'dictRef', to: :dict_ref
+              map 'convention', to: :convention
+              map 'units', to: :units
+              map 'multiplier', to: :multiplier
+              map 'ref', to: :ref
+              map 'multiplierToData', to: :multiplier_to_data
+              map 'constantToData', to: :constant_to_data
             end
           end
         end

data/lib/chemicalml/cml/base/yaxis.rb

@@ -7,6 +7,8 @@ module Chemicalml
         def self.included(klass)
           klass.class_eval do
             include Chemicalml::Cml::Role::Yaxis
+            include Chemicalml::Cml::Base::CommonChildren
+
             attribute :id, :string
             attribute :title, :string
             attribute :dict_ref, :string
@@ -14,15 +16,39 @@ module Chemicalml
             attribute :units, :string
             attribute :multiplier, :string
 
+            attribute :ref, :string
+            attribute :multiplier_to_data, :string
+            attribute :constant_to_data, :string
+            attribute :arrays, :array, collection: true
             xml do
               namespace Chemicalml::Cml::Namespace
-              root "yaxis"
-              map_attribute "id", to: :id
-              map_attribute "title", to: :title
-              map_attribute "dictRef", to: :dict_ref
-              map_attribute "convention", to: :convention
-              map_attribute "units", to: :units
-              map_attribute "multiplier", to: :multiplier
+              root 'yaxis'
+              map_attribute 'id', to: :id
+              map_attribute 'title', to: :title
+              map_attribute 'dictRef', to: :dict_ref
+              map_attribute 'convention', to: :convention
+              map_attribute 'units', to: :units
+              map_attribute 'multiplier', to: :multiplier
+              map_attribute 'ref', to: :ref
+              map_attribute 'multiplierToData', to: :multiplier_to_data
+              map_attribute 'constantToData', to: :constant_to_data
+              map_element 'array', to: :arrays
+            end
+            key_value do
+              map 'metadataList', to: :metadata_lists
+              map 'label', to: :labels
+              map 'name', to: :names
+              map 'description', to: :descriptions
+              map 'array', to: :arrays
+              map 'id', to: :id
+              map 'title', to: :title
+              map 'dictRef', to: :dict_ref
+              map 'convention', to: :convention
+              map 'units', to: :units
+              map 'multiplier', to: :multiplier
+              map 'ref', to: :ref
+              map 'multiplierToData', to: :multiplier_to_data
+              map 'constantToData', to: :constant_to_data
             end
           end
         end

data/lib/chemicalml/cml/base/z_matrix.rb

@@ -7,20 +7,41 @@ module Chemicalml
         def self.included(klass)
           klass.class_eval do
             include Chemicalml::Cml::Role::ZMatrix
+            include Chemicalml::Cml::Base::CommonChildren
+
             attribute :id, :string
             attribute :title, :string
             attribute :dict_ref, :string
             attribute :convention, :string
             attribute :content, :string
+            attribute :angles, :angle, collection: true
+            attribute :lengths, :length, collection: true
+            attribute :torsions, :torsion, collection: true
 
             xml do
               namespace Chemicalml::Cml::Namespace
-              root "zMatrix"
-              map_attribute "id", to: :id
-              map_attribute "title", to: :title
-              map_attribute "dictRef", to: :dict_ref
-              map_attribute "convention", to: :convention
+              root 'zMatrix'
+              map_attribute 'id', to: :id
+              map_attribute 'title', to: :title
+              map_attribute 'dictRef', to: :dict_ref
+              map_attribute 'convention', to: :convention
               map_content to: :content
+              map_element 'angle', to: :angles
+              map_element 'length', to: :lengths
+              map_element 'torsion', to: :torsions
+            end
+            key_value do
+              map 'metadataList', to: :metadata_lists
+              map 'label', to: :labels
+              map 'name', to: :names
+              map 'description', to: :descriptions
+              map 'angle', to: :angles
+              map 'length', to: :lengths
+              map 'torsion', to: :torsions
+              map 'id', to: :id
+              map 'title', to: :title
+              map 'dictRef', to: :dict_ref
+              map 'convention', to: :convention
             end
           end
         end