Switch to new RSC REST API

[mcs07]

Details at https://developer.rsc.org

New endpoints

Filter

• filter-element-post (filter_element)
• filter-formula-batch-post (filter_formula_batch)
• filter-formula-batch-queryId-results-get (filter_formula_batch_results)
• filter-formula-batch-queryId-status-get (filter_formula_batch_status)
• filter-formula-post (filter_formula)
• filter-inchi-post (filter_inchi)
• filter-inchikey-post (filter_inchikey)
• filter-intrinsicproperty-post (filter_intrinsicproperty)
• filter-mass-batch-post (filter_mass_batch )
• filter-mass-batch-queryId-results-get (filter_mass_batch_results)
• filter-mass-batch-queryId-status-get (filter_mass_batch_status )
• filter-mass-post (filter_mass)
• filter-name-post (filter_name)
• filter-queryId-results-get (filter_results)
• filter-queryId-results-sdf-get (filter_results_sdf)
• filter-queryId-status-get (filter_status)
• filter-smiles-post (filter_smiles)

Lookups

• lookups-datasources-get (get_datasources)

Records

• records-batch-post (get_details_batch)
• records-recordId-details-get (get_details)
• records-recordId-externalreferences-get (get_external_references)
• records-recordId-image-get (get_image)
• records-recordId-mol-get (get_mol)

Tools

• tools-convert-post (convert)
• tools-validate-inchikey-post (validate_inchikey)

Old endpoints

MassSpecAPI

• get_databases => get_datasources
• get_extended_compound_info => get_details
• get_extended_compound_info_list => get_details_batch
• get_extended_mol_compound_info_list => get_details_batch
• get_record_mol => get_mol
• simple_search_by_formula
• simple_search_by_mass

SearchAPI

• async_simple_search => filter_name
• async_simple_search_ordered => filter_name
• get_async_search_status => filter_status
• get_async_search_status_and_count => filter_status
• get_async_search_result =>filter_results
• get_async_search_result_part => filter_results
• get_compound_info => get_details
• get_compound_thumbnail => get_image
• simple_search => filter_name

SpectraAPI

• get_all_spectra_info
• get_spectrum_info
• get_compound_spectra_info
• get_spectra_info_list

InchiAPI

• get_original_mol

[fredrikw]

Great to see! I started working on this myself a couple of weeks ago, but I ran out of time half way through.

[alexbw]

woo! is this ready for use?

[mcs07]

Should be ready, I just need to do a bit more testing and update the documentation, then I will publish version 2.0.0. In the meantime you can clone the repo and pip install --editable . to run the development master.

[alexbw]

Great, thanks!