copasi / basico

A simplified python interface to COPASI.
https://basico.readthedocs.io/
Artistic License 2.0
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Names appear different in exp_data and sim_data dataframes #24

Closed DeepaMahm closed 2 years ago

DeepaMahm commented 2 years ago

Hi @fbergmann ,

Square brackets are missing in the columns names of sim_data returned by the function get_simulation_results for time course data.

e.g.

sim_data>
Index(['ADP', 'fructose 6-phosphate', 'NAD', 'glyceraldehyde 3-phosphate',
       'pyruvate{cytosol}', 'dihydroxyacetone phosphate', '2-phosphoglycerate',
       dtype='object')

exp_data>
Index(['Time', '[d-glucose{"external compartment (blood)"}]_0', '[ATP]',
       '[dihydroxyacetone phosphate]', '[fructose 6-phosphate]',
       dtype='object')

For steady-state data both sim_data and exp_data have brackets for the concentration of species in the column names.

Could you please have a look?

fbergmann commented 2 years ago

i can change the output format, if that would help. So far the results were just returned from the internal time series object, but i can rename them.

DeepaMahm commented 2 years ago

Thanks so much, that will be really helpful.

fbergmann commented 2 years ago

this has since been released