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docs/notebooks/kinetic_scheme_visualization.ipynb

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"id": "15",
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"metadata": {},
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"## Real-world example: target analysis of carotenoid triads\n",
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"## Real-world example: target analysis of chromophoric systems\n",
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"\n",
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"The examples above use simple simulated data. In practice, kinetic models are more complex.\n",
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"Let's load a real target analysis model that describes the photophysics of three\n",
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"carotenoid-porphyrin triads (RCG, GCRCG, RCGCR) measured in DCM.\n",
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"Let's load a real target analysis model that describes the photophysics of chromophoric systems consisting of two or three\n",
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"chromophores red (R), and green (G) connected via a bridge (C) (RCG, GCRCG, RCGCR) measured in the solvent DCM. These systems are detailed in the pyglotaran release paper.\n",
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"\n",
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"This model has:\n",
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"- Three decay megacomplexes (one per triad measurement), each with multiple k-matrices\n",
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"- Three decay megacomplexes (one per measurement), each with multiple k-matrices\n",
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"- Coherent artifact megacomplexes (automatically skipped)\n",
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"- CLP-guide megacomplexes (automatically skipped)\n",
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"- Shared rate parameters across triads"
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"- Shared rate parameters across the chromophoric systems"
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]
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"id": "17",
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"metadata": {},
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"### Single megacomplex: RCG triad\n",
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"### Single megacomplex: RCG\n",
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"\n",
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"Let's start by visualizing just the RCG triad's kinetic scheme. This megacomplex has 6\n",
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"Let's start by visualizing just the RCG kinetic scheme. This megacomplex has 6\n",
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"compartments and 12 transitions (sequential R1→R2→R3→R4 cascade, branching to a green\n",
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"state G, and an additional S6 state)."
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" \"complex_rcg_dcm\",\n",
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" model,\n",
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" params,\n",
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" title=\"RCG triad kinetic scheme\",\n",
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" title=\"RCG kinetic scheme\",\n",
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")\n",
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"fig"
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]
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"id": "21",
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"metadata": {},
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"### Multiple megacomplexes: all three triads together\n",
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"### Multiple megacomplexes: all three systems together\n",
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"\n",
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"You can pass a list of megacomplex labels to visualize multiple kinetic schemes in a single\n",
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"figure. Compartments that appear in multiple megacomplexes are automatically merged."
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" model,\n",
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" params,\n",
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" figsize=(16, 10),\n",
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" title=\"All three triads\",\n",
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" title=\"All three systems\",\n",
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")\n",
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"fig"
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]

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