Module: Chemicalml::Convention::Molecular

Extended by:: Base

Defined in:: lib/chemicalml/convention/molecular.rb,
lib/chemicalml/convention/molecular/constraints.rb,
lib/chemicalml/convention/molecular/constraints/atom_must_have_id.rb,
lib/chemicalml/convention/molecular/constraints/bond_must_have_order.rb,
lib/chemicalml/convention/molecular/constraints/molecule_must_have_id.rb,
lib/chemicalml/convention/molecular/constraints/bond_must_have_atom_refs2.rb,
lib/chemicalml/convention/molecular/constraints/atom_id_must_match_pattern.rb,
lib/chemicalml/convention/molecular/constraints/scalar_must_have_data_type.rb,
lib/chemicalml/convention/molecular/constraints/atom_must_have_element_type.rb,
lib/chemicalml/convention/molecular/constraints/property_must_have_dict_ref.rb,
lib/chemicalml/convention/molecular/constraints/atom_array_must_contain_atoms.rb,
lib/chemicalml/convention/molecular/constraints/atom_coordinates_must_be_paired.rb,
lib/chemicalml/convention/molecular/constraints/atom_ids_unique_within_molecule.rb,
lib/chemicalml/convention/molecular/constraints/bond_ids_unique_within_molecule.rb,
lib/chemicalml/convention/molecular/constraints/bond_order_should_not_be_numeric.rb,
lib/chemicalml/convention/molecular/constraints/bond_order_other_must_have_dict_ref.rb,
lib/chemicalml/convention/molecular/constraints/bond_array_must_be_child_of_molecule.rb,
lib/chemicalml/convention/molecular/constraints/bond_stereo_other_must_have_dict_ref.rb,
lib/chemicalml/convention/molecular/constraints/bond_must_reference_atoms_in_same_molecule.rb,
lib/chemicalml/convention/molecular/constraints/bond_stereo_cis_trans_must_have_atom_refs4.rb,
lib/chemicalml/convention/molecular/constraints/bond_stereo_wedge_hash_must_have_atom_refs2.rb,
lib/chemicalml/convention/molecular/constraints/molecule_count_must_not_appear_on_top_level.rb,
lib/chemicalml/convention/molecular/constraints/atom_array_must_be_child_of_molecule_or_formula.rb,
lib/chemicalml/convention/molecular/constraints/molecule_atom_array_mutually_exclusive_with_children.rb,
lib/chemicalml/convention/molecular/constraints/molecule_bond_array_mutually_exclusive_with_children.rb

Overview

The molecular convention. Constraints are based on the rules at http://www.xml-cml.org/convention/molecular (archived in reference-docs/conventions/molecular.md).

Defined Under Namespace

Modules: Constraints

Constant Summary collapse

QNAME =

"convention:molecular".freeze

NAMESPACE_URI =

"#{Chemicalml::Convention::CONVENTION_NAMESPACE}molecular".freeze

Methods included from Base

constraint_count, constraints, namespace_uri, qname, register, reset_constraints!, validate, validate_report

Class Method Details

.namespace_uri ⇒ `Object`



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# File 'lib/chemicalml/convention/molecular.rb', line 20

def self.namespace_uri
  NAMESPACE_URI
end

.qname ⇒ `Object`



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

def self.qname
  QNAME
end