Class: Chemicalml::Convention::Molecular::Constraints::AtomArrayMustBeChildOfMoleculeOrFormula

Inherits:
Constraint::NodeConstraint
  • Object
show all
Defined in:
lib/chemicalml/convention/molecular/constraints/atom_array_must_be_child_of_molecule_or_formula.rb

Overview

Molecular convention: <atomArray> MUST be a child of <molecule> or <formula>. Any other parent is invalid. Checked from the parent's perspective during the walk — when visiting a non-molecule/non-formula node, look for misplaced atomArray children.

Instance Method Summary collapse

Methods inherited from Constraint::NodeConstraint

#check

Instance Method Details

#check_node(node, path) ⇒ Object 



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# File 'lib/chemicalml/convention/molecular/constraints/atom_array_must_be_child_of_molecule_or_formula.rb', line 13

def check_node(node, path)
  return [] if allowed_parent?(node)

  misplaced = node.wire_children.select { |c| atom_array?(c) }
  misplaced.map do |child|
    violation(
      path: (path + [describe(node), describe(child)]).join('/'),
      message: 'atomArray must be a child of molecule or formula, ' \
               "but appears under #{node.element_name.inspect}"
    )
  end
end