Module: Chemicalml::Convention::Molecular::Constraints

Defined in:

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/dict_ref_should_resolve.rb,
lib/chemicalml/convention/molecular/constraints/bond_must_have_atom_refs2.rb,
lib/chemicalml/convention/molecular/constraints/references_should_resolve.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/bond_id_should_match_pattern.rb,
lib/chemicalml/convention/molecular/constraints/bond_order_should_be_in_enum.rb,
lib/chemicalml/convention/molecular/constraints/atom_array_must_contain_atoms.rb,
lib/chemicalml/convention/molecular/constraints/bond_stereo_should_be_in_enum.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/molecule_id_should_match_pattern.rb,
lib/chemicalml/convention/molecular/constraints/bond_atom_refs2_should_be_distinct.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/molecule_chirality_should_be_in_enum.rb,
lib/chemicalml/convention/molecular/constraints/atom_parity_should_include_parent_atom.rb,
lib/chemicalml/convention/molecular/constraints/atom_parity_atom_refs4_should_be_distinct.rb,
lib/chemicalml/convention/molecular/constraints/bond_stereo_atom_refs4_should_be_distinct.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/property_scalar_data_type_matches_dictionary.rb,
lib/chemicalml/convention/molecular/constraints/atom_element_type_should_be_in_periodic_table.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

Defined Under Namespace

Classes: AtomArrayMustBeChildOfMoleculeOrFormula, AtomArrayMustContainAtoms, AtomCoordinatesMustBePaired, AtomElementTypeShouldBeInPeriodicTable, AtomIdMustMatchPattern, AtomIdsUniqueWithinMolecule, AtomMustHaveElementType, AtomMustHaveId, AtomParityAtomRefs4ShouldBeDistinct, AtomParityShouldIncludeParentAtom, BondArrayMustBeChildOfMolecule, BondAtomRefs2ShouldBeDistinct, BondIdShouldMatchPattern, BondIdsUniqueWithinMolecule, BondMustHaveAtomRefs2, BondMustHaveOrder, BondMustReferenceAtomsInSameMolecule, BondOrderOtherMustHaveDictRef, BondOrderShouldBeInEnum, BondOrderShouldNotBeNumeric, BondStereoAtomRefs4ShouldBeDistinct, BondStereoCisTransMustHaveAtomRefs4, BondStereoOtherMustHaveDictRef, BondStereoShouldBeInEnum, BondStereoWedgeHashMustHaveAtomRefs2, DictRefShouldResolve, MoleculeAtomArrayMutuallyExclusiveWithChildren, MoleculeBondArrayMutuallyExclusiveWithChildren, MoleculeChiralityShouldBeInEnum, MoleculeCountMustNotAppearOnTopLevel, MoleculeIdShouldMatchPattern, MoleculeMustHaveId, PropertyMustHaveDictRef, PropertyScalarDataTypeMatchesDictionary, ReferencesShouldResolve, ScalarMustHaveDataType