Python库 | equilibrator-cheminfo-0.11.0.tar.gz

LICENSE MANIFEST.in README.rst pyproject.toml setup.cfg setup.py src/equilibrator_cheminfo/__init__.py src/equilibrator_cheminfo/_version.py src/equilibrator_cheminfo/helpers.py src/equilibrator_cheminfo.egg-info/PKG-INFO src/equilibrator_cheminfo.egg-info/SOURCES.txt src/equilibrator_cheminfo.egg-info/dependency_links.txt src/equilibrator_cheminfo.egg-info/entry_points.txt src/equilibrator_cheminfo.egg-info/requires.txt src/equilibrator_cheminfo.egg-info/top_level.txt src/equilibrator_cheminfo.egg-info/zip-safe src/equilibrator_cheminfo/application/__init__.py src/equilibrator_cheminfo/application/service/__init__.py src/equilibrator_cheminfo/application/service/abstract_molecular_entity_service.py src/equilibrator_cheminfo/application/service/application_service_registry.py src/equilibrator_cheminfo/application/service/cheminformatics_backend.py src/equilibrator_cheminfo/application/service/create_molecular_entities_from_table_command.py src/equilibrator_cheminfo/application/service/structures_table_service.py src/equilibrator_cheminfo/application/service/chemaxon/__init__.py src/equilibrator_cheminfo/application/service/chemaxon/chemaxon_molecular_entity_service.py src/equilibrator_cheminfo/domain/__init__.py src/equilibrator_cheminfo/domain/model/__init__.py src/equilibrator_cheminfo/domain/model/abstract_domain_registry.py src/equilibrator_cheminfo/domain/model/abstract_molecular_entity_factory.py src/equilibrator_cheminfo/domain/model/abstract_molecular_entity_repository.py src/equilibrator_cheminfo/domain/model/abstract_molecule.py src/equilibrator_cheminfo/domain/model/error_message.py src/equilibrator_cheminfo/domain/model/manual_structure_exception_specification.py src/equilibrator_cheminfo/domain/model/microspecies.py src/equilibrator_cheminfo/domain/model/molecular_entity.py src/equilibrator_cheminfo/domain/model/structure.py src/equilibrator_cheminfo/domain/model/structure_identifier.py src/equilibrator_cheminfo/domain/model/structures_table.py src/equilibrator_cheminfo/domain/model/data/__init__.py src/equilibrator_cheminfo/domain/model/data/manual_exceptions.tsv src/equilibrator_cheminfo/domain/service/__init__.py src/equilibrator_cheminfo/domain/service/abstract_major_microspecies_service.py src/equilibrator_cheminfo/domain/service/abstract_proton_dissociation_constants_service.py src/equilibrator_cheminfo/infrastructure/__init__.py src/equilibrator_cheminfo/infrastructure/persistence/__init__.py src/equilibrator_cheminfo/infrastructure/persistence/domain_registry.py src/equilibrator_cheminfo/infrastructure/persistence/orm/__init__.py src/equilibrator_cheminfo/infrastructure/persistence/orm/orm_base.py src/equilibrator_cheminfo/infrastructure/persistence/orm/orm_error_message.py src/equilibrator_cheminfo/infrastructure/persistence/orm/orm_management_service.py src/equilibrator_cheminfo/infrastructure/persistence/orm/orm_microspecies.py src/equilibrator_cheminfo/infrastructure/persistence/orm/orm_molecular_entity.py src/equilibrator_cheminfo/infrastructure/persistence/orm/orm_molecular_entity_repository.py src/equilibrator_cheminfo/infrastructure/persistence/orm/orm_proton_dissociation_constant.py src/equilibrator_cheminfo/infrastructure/persistence/orm/mixin/__init__.py src/equilibrator_cheminfo/infrastructure/persistence/orm/mixin/model_mixin.py src/equilibrator_cheminfo/infrastructure/persistence/orm/mixin/timestamp_mixin.py src/equilibrator_cheminfo/infrastructure/service/__init__.py src/equilibrator_cheminfo/infrastructure/service/equilibrator_cheminformatics_error.py src/equilibrator_cheminfo/infrastructure/service/singleton.py src/equilibrator_cheminfo/infrastructure/service/chemaxon/__init__.py src/equilibrator_cheminfo/infrastructure/service/chemaxon/abstract_chemaxon_adapter.py src/equilibrator_cheminfo/infrastructure/service/chemaxon/chemaxon_error.py src/equilibrator_cheminfo/infrastructure/service/chemaxon/chemaxon_major_microspecies_service.py src/equilibrator_cheminfo/infrastructure/service/chemaxon/chemaxon_manager.py src/equilibrator_cheminfo/infrastructure/service/chemaxon/chemaxon_molecular_entity_factory.py src/equilibrator_cheminfo/infrastructure/service/chemaxon/chemaxon_molecule.py src/equilibrator_cheminfo/infrastructure/service/chemaxon/chemaxon_proton_dissociation_constants_service.py src/equilibrator_cheminfo/infrastructure/service/openbabel/__init__.py src/equilibrator_cheminfo/infrastructure/service/openbabel/openbabel_error.py src/equilibrator_cheminfo/infrastructure/service/openbabel/openbabel_molecule.py src/equilibrator_cheminfo/infrastructure/service/rdkit/__init__.py src/equilibrator_cheminfo/infrastructure/service/rdkit/rdkit_error.py src/equilibrator_cheminfo/infrastructure/service/rdkit/rdkit_molecule.py src/equilibrator_cheminfo/interface/__init__.py src/equilibrator_cheminfo/interface/cli/__init__.py src/equilibrator_cheminfo/interface/cli/marvin.py