chemicalml 0.1.0 → 0.2.0

data/lib/chemicalml/cml/array.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Array.
-module Chemicalml
-  module Cml
-    remove_const(:Array) if const_defined?(:Array, false)
-    const_set(:Array, Chemicalml::Cml::Schema3::Array)
-  end
-end

data/lib/chemicalml/cml/atom.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Atom.
-module Chemicalml
-  module Cml
-    remove_const(:Atom) if const_defined?(:Atom, false)
-    const_set(:Atom, Chemicalml::Cml::Schema3::Atom)
-  end
-end

data/lib/chemicalml/cml/atom_array.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::AtomArray.
-module Chemicalml
-  module Cml
-    remove_const(:AtomArray) if const_defined?(:AtomArray, false)
-    const_set(:AtomArray, Chemicalml::Cml::Schema3::AtomArray)
-  end
-end

data/lib/chemicalml/cml/atom_parity.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::AtomParity.
-module Chemicalml
-  module Cml
-    remove_const(:AtomParity) if const_defined?(:AtomParity, false)
-    const_set(:AtomParity, Chemicalml::Cml::Schema3::AtomParity)
-  end
-end

data/lib/chemicalml/cml/bond.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Bond.
-module Chemicalml
-  module Cml
-    remove_const(:Bond) if const_defined?(:Bond, false)
-    const_set(:Bond, Chemicalml::Cml::Schema3::Bond)
-  end
-end

data/lib/chemicalml/cml/bond_array.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::BondArray.
-module Chemicalml
-  module Cml
-    remove_const(:BondArray) if const_defined?(:BondArray, false)
-    const_set(:BondArray, Chemicalml::Cml::Schema3::BondArray)
-  end
-end

data/lib/chemicalml/cml/bond_stereo.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::BondStereo.
-module Chemicalml
-  module Cml
-    remove_const(:BondStereo) if const_defined?(:BondStereo, false)
-    const_set(:BondStereo, Chemicalml::Cml::Schema3::BondStereo)
-  end
-end

data/lib/chemicalml/cml/cml_module.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Module.
-module Chemicalml
-  module Cml
-    remove_const(:Module) if const_defined?(:Module, false)
-    const_set(:Module, Chemicalml::Cml::Schema3::Module)
-  end
-end

data/lib/chemicalml/cml/dictionary.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Dictionary.
-module Chemicalml
-  module Cml
-    remove_const(:Dictionary) if const_defined?(:Dictionary, false)
-    const_set(:Dictionary, Chemicalml::Cml::Schema3::Dictionary)
-  end
-end

data/lib/chemicalml/cml/dictionary_entry.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::DictionaryEntry.
-module Chemicalml
-  module Cml
-    remove_const(:DictionaryEntry) if const_defined?(:DictionaryEntry, false)
-    const_set(:DictionaryEntry, Chemicalml::Cml::Schema3::DictionaryEntry)
-  end
-end

data/lib/chemicalml/cml/document.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Document.
-module Chemicalml
-  module Cml
-    remove_const(:Document) if const_defined?(:Document, false)
-    const_set(:Document, Chemicalml::Cml::Schema3::Document)
-  end
-end

data/lib/chemicalml/cml/formula.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Formula.
-module Chemicalml
-  module Cml
-    remove_const(:Formula) if const_defined?(:Formula, false)
-    const_set(:Formula, Chemicalml::Cml::Schema3::Formula)
-  end
-end

data/lib/chemicalml/cml/identifier.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Identifier.
-module Chemicalml
-  module Cml
-    remove_const(:Identifier) if const_defined?(:Identifier, false)
-    const_set(:Identifier, Chemicalml::Cml::Schema3::Identifier)
-  end
-end

data/lib/chemicalml/cml/label.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Label.
-module Chemicalml
-  module Cml
-    remove_const(:Label) if const_defined?(:Label, false)
-    const_set(:Label, Chemicalml::Cml::Schema3::Label)
-  end
-end

data/lib/chemicalml/cml/list.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::List.
-module Chemicalml
-  module Cml
-    remove_const(:List) if const_defined?(:List, false)
-    const_set(:List, Chemicalml::Cml::Schema3::List)
-  end
-end

data/lib/chemicalml/cml/matrix.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Matrix.
-module Chemicalml
-  module Cml
-    remove_const(:Matrix) if const_defined?(:Matrix, false)
-    const_set(:Matrix, Chemicalml::Cml::Schema3::Matrix)
-  end
-end

data/lib/chemicalml/cml/metadata.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Metadata.
-module Chemicalml
-  module Cml
-    remove_const(:Metadata) if const_defined?(:Metadata, false)
-    const_set(:Metadata, Chemicalml::Cml::Schema3::Metadata)
-  end
-end

data/lib/chemicalml/cml/metadata_list.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::MetadataList.
-module Chemicalml
-  module Cml
-    remove_const(:MetadataList) if const_defined?(:MetadataList, false)
-    const_set(:MetadataList, Chemicalml::Cml::Schema3::MetadataList)
-  end
-end

data/lib/chemicalml/cml/molecule.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Molecule.
-module Chemicalml
-  module Cml
-    remove_const(:Molecule) if const_defined?(:Molecule, false)
-    const_set(:Molecule, Chemicalml::Cml::Schema3::Molecule)
-  end
-end

data/lib/chemicalml/cml/name.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Name.
-module Chemicalml
-  module Cml
-    remove_const(:Name) if const_defined?(:Name, false)
-    const_set(:Name, Chemicalml::Cml::Schema3::Name)
-  end
-end

data/lib/chemicalml/cml/parameter.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Parameter.
-module Chemicalml
-  module Cml
-    remove_const(:Parameter) if const_defined?(:Parameter, false)
-    const_set(:Parameter, Chemicalml::Cml::Schema3::Parameter)
-  end
-end

data/lib/chemicalml/cml/parameter_list.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::ParameterList.
-module Chemicalml
-  module Cml
-    remove_const(:ParameterList) if const_defined?(:ParameterList, false)
-    const_set(:ParameterList, Chemicalml::Cml::Schema3::ParameterList)
-  end
-end

data/lib/chemicalml/cml/product.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Product.
-module Chemicalml
-  module Cml
-    remove_const(:Product) if const_defined?(:Product, false)
-    const_set(:Product, Chemicalml::Cml::Schema3::Product)
-  end
-end

data/lib/chemicalml/cml/product_list.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::ProductList.
-module Chemicalml
-  module Cml
-    remove_const(:ProductList) if const_defined?(:ProductList, false)
-    const_set(:ProductList, Chemicalml::Cml::Schema3::ProductList)
-  end
-end

data/lib/chemicalml/cml/property.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Property.
-module Chemicalml
-  module Cml
-    remove_const(:Property) if const_defined?(:Property, false)
-    const_set(:Property, Chemicalml::Cml::Schema3::Property)
-  end
-end

data/lib/chemicalml/cml/property_list.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::PropertyList.
-module Chemicalml
-  module Cml
-    remove_const(:PropertyList) if const_defined?(:PropertyList, false)
-    const_set(:PropertyList, Chemicalml::Cml::Schema3::PropertyList)
-  end
-end

data/lib/chemicalml/cml/reactant.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Reactant.
-module Chemicalml
-  module Cml
-    remove_const(:Reactant) if const_defined?(:Reactant, false)
-    const_set(:Reactant, Chemicalml::Cml::Schema3::Reactant)
-  end
-end

data/lib/chemicalml/cml/reactant_list.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::ReactantList.
-module Chemicalml
-  module Cml
-    remove_const(:ReactantList) if const_defined?(:ReactantList, false)
-    const_set(:ReactantList, Chemicalml::Cml::Schema3::ReactantList)
-  end
-end

data/lib/chemicalml/cml/reaction.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Reaction.
-module Chemicalml
-  module Cml
-    remove_const(:Reaction) if const_defined?(:Reaction, false)
-    const_set(:Reaction, Chemicalml::Cml::Schema3::Reaction)
-  end
-end

data/lib/chemicalml/cml/reaction_list.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::ReactionList.
-module Chemicalml
-  module Cml
-    remove_const(:ReactionList) if const_defined?(:ReactionList, false)
-    const_set(:ReactionList, Chemicalml::Cml::Schema3::ReactionList)
-  end
-end

data/lib/chemicalml/cml/scalar.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Scalar.
-module Chemicalml
-  module Cml
-    remove_const(:Scalar) if const_defined?(:Scalar, false)
-    const_set(:Scalar, Chemicalml::Cml::Schema3::Scalar)
-  end
-end

data/lib/chemicalml/cml/substance.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Substance.
-module Chemicalml
-  module Cml
-    remove_const(:Substance) if const_defined?(:Substance, false)
-    const_set(:Substance, Chemicalml::Cml::Schema3::Substance)
-  end
-end

data/lib/chemicalml/cml/unit.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::Unit.
-module Chemicalml
-  module Cml
-    remove_const(:Unit) if const_defined?(:Unit, false)
-    const_set(:Unit, Chemicalml::Cml::Schema3::Unit)
-  end
-end

data/lib/chemicalml/cml/unit_list.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::UnitList.
-module Chemicalml
-  module Cml
-    remove_const(:UnitList) if const_defined?(:UnitList, false)
-    const_set(:UnitList, Chemicalml::Cml::Schema3::UnitList)
-  end
-end

data/lib/chemicalml/cml/unit_type.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::UnitType.
-module Chemicalml
-  module Cml
-    remove_const(:UnitType) if const_defined?(:UnitType, false)
-    const_set(:UnitType, Chemicalml::Cml::Schema3::UnitType)
-  end
-end

data/lib/chemicalml/cml/unit_type_list.rb

@@ -1,10 +0,0 @@
-# frozen_string_literal: true
-
-# Backward-compatible alias. New code should reference the versioned
-# class directly: Chemicalml::Cml::Schema3::UnitTypeList.
-module Chemicalml
-  module Cml
-    remove_const(:UnitTypeList) if const_defined?(:UnitTypeList, false)
-    const_set(:UnitTypeList, Chemicalml::Cml::Schema3::UnitTypeList)
-  end
-end

data/lib/chemicalml/cml/wire_class_macro.rb

@@ -1,45 +0,0 @@
-# frozen_string_literal: true
-
-module Chemicalml
-  module Cml
-    # Macro for defining a schema version's wire classes without
-    # writing 35+ boilerplate files. Each generated class:
-    #
-    #   - subclasses `Lutaml::Model::Serializable`
-    #   - includes the corresponding `Base::*` mixin (shared attribute
-    #     declarations and xml mapping)
-    #   - includes `Cml::Visitable` (uniform interface for the
-    #     constraint walker)
-    #   - defines `self.lutaml_default_register` returning the
-    #     provided context_id
-    #
-    # Usage:
-    #
-    #   Chemicalml::Cml.define_wire_classes(
-    #     namespace: Chemicalml::Cml::Schema3,
-    #     context_id: :chemicalml_schema3
-    #   )
-    #
-    # Pass `except:` to skip elements (e.g. Schema 2.4 lacks <module>):
-    #
-    #   Chemicalml::Cml.define_wire_classes(
-    #     namespace: Chemicalml::Cml::Schema24,
-    #     context_id: :chemicalml_schema24,
-    #     except: Chemicalml::Cml::Elements::SCHEMA3_ONLY
-    #   )
-    def self.define_wire_classes(namespace:, context_id:, except: [])
-      skip = except.to_set
-      Elements::ALL.each_key do |class_name|
-        next if skip.include?(class_name)
-
-        base_module = Base.const_get(class_name)
-        klass = Class.new(Lutaml::Model::Serializable) do
-          include base_module
-          include Chemicalml::Cml::Visitable
-        end
-        klass.define_singleton_method(:lutaml_default_register) { context_id }
-        namespace.const_set(class_name, klass)
-      end
-    end
-  end
-end