Module: Chemicalml::Model

Defined in:

lib/chemicalml/model.rb,
lib/chemicalml/model/atom.rb,
lib/chemicalml/model/bond.rb,
lib/chemicalml/model/name.rb,
lib/chemicalml/model/node.rb,
lib/chemicalml/model/label.rb,
lib/chemicalml/model/matrix.rb,
lib/chemicalml/model/scalar.rb,
lib/chemicalml/model/formula.rb,
lib/chemicalml/model/product.rb,
lib/chemicalml/model/document.rb,
lib/chemicalml/model/metadata.rb,
lib/chemicalml/model/molecule.rb,
lib/chemicalml/model/property.rb,
lib/chemicalml/model/reactant.rb,
lib/chemicalml/model/reaction.rb,
lib/chemicalml/model/cml_array.rb,
lib/chemicalml/model/parameter.rb,
lib/chemicalml/model/substance.rb,
lib/chemicalml/model/cml_module.rb,
lib/chemicalml/model/identifier.rb,
lib/chemicalml/model/product_list.rb,
lib/chemicalml/model/metadata_list.rb,
lib/chemicalml/model/property_list.rb,
lib/chemicalml/model/reactant_list.rb,
lib/chemicalml/model/reaction_list.rb,
lib/chemicalml/model/parameter_list.rb

Overview

Canonical chemistry representation model. Format-agnostic plain Ruby classes; not tied to any wire format.

Every adapter (CML XML, AsciiChem text, future SMILES/InChI/MOL) speaks the canonical model. Adapters never talk to each other directly — only through these classes.

Defined Under Namespace

Classes: Array, Atom, Bond, Document, Formula, Identifier, Label, Matrix, Metadata, MetadataList, Module, Molecule, Name, Node, Parameter, ParameterList, Product, ProductList, Property, PropertyList, Reactant, ReactantList, Reaction, ReactionList, Scalar, Substance