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cagey documentation
cagey documentation

Contents:

  • Modules
    • cagey
      • cagey.MassSpectrumPeak
      • cagey.MassSpectrumTopologyAssignment
      • cagey.NmrPeak
      • cagey.NmrSpectrum
      • cagey.Precursor
      • cagey.Precursors
      • cagey.Reaction
      • cagey.ReactionKey
      • cagey.Row
      • cagey.TurbidState
      • cagey.ms
        • cagey.ms.get_peaks
        • cagey.ms.get_topologies
        • cagey.ms.machine_data_to_mzml
        • cagey.ms.mzml_to_csv
      • cagey.nmr
        • cagey.nmr.get_spectrum
      • cagey.queries
        • cagey.queries.aldehyde_peaks_df
        • cagey.queries.create_tables
        • cagey.queries.imine_peaks_df
        • cagey.queries.insert_mass_spectrum
        • cagey.queries.insert_mass_spectrum_topology_assignments
        • cagey.queries.insert_nmr_spectrum
        • cagey.queries.insert_precursors
        • cagey.queries.insert_reactions
        • cagey.queries.insert_turbidity
        • cagey.queries.mass_spectrum_peaks
        • cagey.queries.mass_spectrum_peaks_df
        • cagey.queries.mass_spectrum_topology_assignments_df
        • cagey.queries.precursors_df
        • cagey.queries.reaction_precursors
        • cagey.queries.reactions_df
        • cagey.queries.turbidity_dissolved_references_df
        • cagey.queries.turbidity_measurements_df
        • cagey.queries.turbidity_states_df
        • cagey.queries.CreateTablesError
        • cagey.queries.InsertMassSpectrumError
        • cagey.queries.InsertNmrSpectrumError
      • cagey.reactions
        • cagey.reactions.add_ab_02_005_data
        • cagey.reactions.add_ab_02_007_data
        • cagey.reactions.add_ab_02_009_data
        • cagey.reactions.add_precursors
      • cagey.turbidity
        • cagey.turbidity.get_aggregated_stability_windows
        • cagey.turbidity.get_stability_windows
        • cagey.turbidity.get_turbid_state
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cagey.ms.get_topologies#

cagey.ms.get_topologies(peaks)[source]#

Yield the topology assignments for the peaks.

Parameters:

peaks (Iterable[Row[MassSpectrumPeak]]) – The peaks to assign topologies to.

Yields:

A topology assignment.

Return type:

Iterator[MassSpectrumTopologyAssignment]

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  • cagey.ms.get_topologies
    • get_topologies()