Index

A

acid (Chemistry.reactions.acid_base.AcidBase attribute) Acid (class in Chemistry.base.reactants)

AcidBase (class in Chemistry.reactions.acid_base)

B

base (Chemistry.reactions.acid_base.AcidBase attribute) Base (class in Chemistry.base.reactants)

BronstedAcid (class in Chemistry.base.reactants) BronstedBase (class in Chemistry.base.reactants)

C

Chemistry (module) Chemistry.base (module) Chemistry.base.compounds (module) Chemistry.base.periodic_table (module) Chemistry.base.products (module) Chemistry.base.reactants (module) Chemistry.exceptions (module) Chemistry.exceptions.ParseErrors (module) Chemistry.exceptions.ReactionErrors (module) Chemistry.parsing (module) Chemistry.parsing.CheML (module) Chemistry.reactions (module) Chemistry.reactions.acid_base (module)

Chemistry.Testing (module) Chemistry.Testing.test_acid_base_reactions (module) Chemistry.Testing.test_base_reactions (module) Chemistry.Testing.test_CML (module) Chemistry.Testing.test_compounds (module) Chemistry.Testing.test_isomorphism (module) Chemistry.Testing.test_periodic_helpers (module) Chemistry.Testing.test_products (module) Chemistry.Testing.test_reactants (module) CMLBuilder (class in Chemistry.parsing.CheML) CMLParser (class in Chemistry.parsing.CheML) Compound (class in Chemistry.base.compounds) conditions (Chemistry.reactions.acid_base.AcidBase attribute)

E

edge_matcher() (Chemistry.base.compounds.Compound class method) Electrophile (class in Chemistry.base.reactants)

EquilibriumProducts (class in Chemistry.base.products) err_message (Chemistry.exceptions.ReactionErrors.NoReactionError attribute) (Chemistry.exceptions.ReactionErrors.ReactionError attribute)

F

from_compound() (Chemistry.parsing.CheML.CMLBuilder class method)

G

get_element() (in module Chemistry.base.periodic_table)

I

is_isomorphic() (Chemistry.base.compounds.Compound method)

J

json_serialize() (Chemistry.base.compounds.Compound class method)

L

LewisAcid (class in Chemistry.base.reactants)

LewisBase (class in Chemistry.base.reactants)

M

major (Chemistry.base.products.Products attribute) message (Chemistry.exceptions.ParseErrors.ParsingException attribute)

minor (Chemistry.base.products.Products attribute)

N

node_matcher() (Chemistry.base.compounds.Compound class method) NoReactionError

Nucleophile (class in Chemistry.base.reactants)

P

ParsingException pka (Chemistry.base.reactants.Reactant attribute) (Chemistry.exceptions.ReactionErrors.ReactionError attribute) primary (Chemistry.Testing.test_CML.test_cml_builder attribute) (Chemistry.Testing.test_CML.test_cml_parser attribute)

Product (class in Chemistry.base.products) products (Chemistry.base.products.EquilibriumProducts attribute) Products (class in Chemistry.base.products)

R

react() (Chemistry.reactions.acid_base.AcidBase method) Reactant (class in Chemistry.base.reactants)

reactants (Chemistry.base.products.EquilibriumProducts attribute) ReactionError

S

setUp() (Chemistry.Testing.test_acid_base_reactions.test_acid_base_reaction method) (Chemistry.Testing.test_CML.test_cml_builder method) (Chemistry.Testing.test_CML.test_cml_parser method) (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) (Chemistry.Testing.test_compounds.TestCompound method) (Chemistry.Testing.test_compounds.TestIO method) (Chemistry.Testing.test_isomorphism.TestIsomorphisms method) (Chemistry.Testing.test_periodic_helpers.test_helpers method) (Chemistry.Testing.test_reactants.TestBase method) (Chemistry.Testing.test_reactants.TestReactantUtilityMethods method)

setUpClass() (Chemistry.Testing.test_acid_base_reactions.test_acid_base_reaction class method) (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class class method) (Chemistry.Testing.test_compounds.TestIO class method) (Chemistry.Testing.test_isomorphism.TestIsomorphisms class method)

T

tearDown() (Chemistry.Testing.test_acid_base_reactions.test_acid_base_reaction method) (Chemistry.Testing.test_CML.test_cml_parser method) (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) (Chemistry.Testing.test_isomorphism.TestIsomorphisms method) (Chemistry.Testing.test_periodic_helpers.test_helpers method) tearDownClass() (Chemistry.Testing.test_acid_base_reactions.test_acid_base_reaction class method) (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class class method) (Chemistry.Testing.test_isomorphism.TestIsomorphisms class method) test_acid_base_reaction (class in Chemistry.Testing.test_acid_base_reactions) test_AcidBase_class (class in Chemistry.Testing.test_acid_base_reactions) test_add_edge_() (Chemistry.Testing.test_compounds.TestCompound method) test_add_edge_raises_KE() (Chemistry.Testing.test_compounds.TestCompound method) test_add_node_() (Chemistry.Testing.test_compounds.TestCompound method) test_add_node_raises_KE() (Chemistry.Testing.test_compounds.TestCompound method) test_build() (Chemistry.Testing.test_CML.test_cml_builder method) test_build_table() (Chemistry.Testing.test_periodic_helpers.test_helpers method) test_cml_builder (class in Chemistry.Testing.test_CML) test_cml_parser (class in Chemistry.Testing.test_CML) test_constructor_not_raises_TE1() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_constructor_not_raises_TE2() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_constructor_raises_TE() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_convert_type1() (Chemistry.Testing.test_periodic_helpers.test_helpers method) test_convert_type2() (Chemistry.Testing.test_periodic_helpers.test_helpers method) test_convert_type3() (Chemistry.Testing.test_periodic_helpers.test_helpers method) test_convert_type4() (Chemistry.Testing.test_periodic_helpers.test_helpers method) test_convert_type_bad() (Chemistry.Testing.test_periodic_helpers.test_helpers method) test_eq_compound() (Chemistry.Testing.test_products.TestProduct method) test_equilibrium1() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_equilibrium2() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_equilibrium3() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_from_CML() (Chemistry.Testing.test_compounds.TestIO method) test_from_Compound() (Chemistry.Testing.test_CML.test_cml_builder method) test_get_acid1() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_get_acid2() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_get_base1() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_get_base2() (Chemistry.Testing.test_acid_base_reactions.test_AcidBase_class method) test_getattr() (Chemistry.Testing.test_products.TestProduct method) test_helpers (class in Chemistry.Testing.test_periodic_helpers) test_hydroxide_hydronium() (Chemistry.Testing.test_acid_base_reactions.test_acid_base_reaction method) test_isomorphism1() (Chemistry.Testing.test_isomorphism.TestIsomorphisms method)

test_isomorphism2() (Chemistry.Testing.test_isomorphism.TestIsomorphisms method) test_isomorphism3() (Chemistry.Testing.test_isomorphism.TestIsomorphisms method) test_isomorphism4() (Chemistry.Testing.test_isomorphism.TestIsomorphisms method) test_isomorphism_acid_compound() (Chemistry.Testing.test_isomorphism.TestIsomorphisms method) test_isomorphism_base_compound() (Chemistry.Testing.test_isomorphism.TestIsomorphisms method) test_json_serializer_repr() (Chemistry.Testing.test_compounds.TestCompound method) test_json_serializer_str() (Chemistry.Testing.test_compounds.TestCompound method) test_major_property_raises_typerror1() (Chemistry.Testing.test_products.TestProducts method) test_major_property_raises_typerror2() (Chemistry.Testing.test_products.TestProducts method) test_major_property_raises_typerror3() (Chemistry.Testing.test_products.TestProducts method) test_major_property_skips_NoneTypes() (Chemistry.Testing.test_products.TestProducts method) test_minor_property_raises_typerror1() (Chemistry.Testing.test_products.TestProducts method) test_minor_property_raises_typerror2() (Chemistry.Testing.test_products.TestProducts method) test_minor_property_raises_typerror3() (Chemistry.Testing.test_products.TestProducts method) test_minor_property_skips_NoneTypes() (Chemistry.Testing.test_products.TestProducts method) test_new_key1() (Chemistry.Testing.test_reactants.TestReactantUtilityMethods method) test_new_key2() (Chemistry.Testing.test_reactants.TestReactantUtilityMethods method) test_new_key3() (Chemistry.Testing.test_reactants.TestReactantUtilityMethods method) test_parse() (Chemistry.Testing.test_CML.test_cml_parser method) test_str_to_list1() (Chemistry.Testing.test_periodic_helpers.test_helpers method) test_str_to_list2() (Chemistry.Testing.test_periodic_helpers.test_helpers method) test_to_CML() (Chemistry.Testing.test_compounds.TestIO method) test_to_conjugate_Acid() (Chemistry.Testing.test_reactants.TestBase method) test_to_file() (Chemistry.Testing.test_CML.test_cml_builder method) TestBase (class in Chemistry.Testing.test_reactants) TestCompound (class in Chemistry.Testing.test_compounds) TestIO (class in Chemistry.Testing.test_compounds) TestIsomorphisms (class in Chemistry.Testing.test_isomorphism) TestProduct (class in Chemistry.Testing.test_products) TestProducts (class in Chemistry.Testing.test_products) TestReactantUtilityMethods (class in Chemistry.Testing.test_reactants) to_conjugate_acid() (Chemistry.base.reactants.Base method) to_conjugate_base() (Chemistry.base.reactants.Acid method) to_file() (Chemistry.parsing.CheML.CMLBuilder method)

U

UnsupportedFileTypeException