Class: Chemicalml::Convention::Molecular::Constraints::AtomParityShouldIncludeParentAtom

Inherits:
Constraint::DocumentConstraint show all
Defined in:
lib/chemicalml/convention/molecular/constraints/atom_parity_should_include_parent_atom.rb

Overview

Walks the document and warns on <atomParity> elements whose parent <atom>'s id does not appear in atomRefs4. The CML convention requires the parent atom to be one of the four references (otherwise the parity is meaningless).

DocumentConstraint because it needs to walk the tree and track parent-child relationships.

Instance Method Summary collapse

Instance Method Details

#check(document) ⇒ Object 



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# File 'lib/chemicalml/convention/molecular/constraints/atom_parity_should_include_parent_atom.rb', line 16

def check(document)
  violations = []
  visit_with_parent(document, nil) do |node, parent|
    next unless atom_parity?(node)
    next unless atom?(parent)

    refs = parse_refs(node.atom_refs4)
    next if refs.empty?
    next if refs.include?(parent.id)

    violations << violation(
      path: "atom[#{parent.id}]/atomParity",
      message: "atomParity atomRefs4 #{refs.inspect} should include the parent atom id " \
               "#{parent.id.inspect}",
      severity: :warning,
      value: node.atom_refs4
    )
  end
  violations
end