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"**Table of contents** \n",
"- [How to add a new fluorophore or new photophysical transitions](#toc1_) \n",
" - [Adding a fluorophore](#toc1_1_) \n",
" - [Adding a single state transition](#toc1_2_) \n",
" - [Adding an ET transition](#toc1_3_) \n",
" - [*Spectra](#toc1_4_) \n",
" - [**Constants](#toc1_5_) \n",
"\n",
"\n",
""
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"# [How to add a new fluorophore or new photophysical transitions](#toc0_)"
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"## [Adding a fluorophore](#toc0_)\n",
"1. Create a new instance of FluorophoreData in fluodata.py\n",
"2. Overwrite the known constants**\n",
"3. Create a Fluorophore instance with a name matching the variable in fluodata.py\n",
"4. Provide datafiles containing absorption and emission spectra* in a folder in fluorophore_spectra and keep the naming convention (e.g., absorption of S0 should be named absorption_S0.csv). The name of the folder should be provided as a str in fluo_data.py (data_files=str)."
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"## [Adding a single state transition](#toc0_)\n",
"1. Check if the involved photophysical states are present in transitions.py SingleState, if not, add them\n",
"2. Add the transition as a transition.py - TransitionType\n",
"3. For automatic read-in, add the rate constant to fluo_data.py (to base class with value 0 and to class instance with true value). Add the transition to transitions.py - derive_transitions(). If the rate depends on other factors, add appropriate constants to fluo_data.py**, look for an appropriate function in formulas.py and if not available, add it. Call the function in derive_transitions() to get the rate constant."
]
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"id": "b0d91877",
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"source": [
"## [Adding an ET transition](#toc0_)\n",
"1. Check if the involved photophysical states are present in transitions.py SingleState and if the PairedState exists, if not, add them\n",
"2. Add the transition as a transition.py - TransitionType\n",
"3. For automatic read-in, provide absorption spectra* of the acceptor state and emission spectra* for the donor state. Add the transition to transitions.py - derive_energy_transfer_transitions(). "
]
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"## [*Spectra](#toc0_)\n",
"The absorption spectra should contain absolute extinction coefficient values for each wavelength (nm) [200, 201, ..., 1000]. The emission spectrum should contain relative values where 1 corresponds to maximum emission, for each wavelength (nm) [200, 201, ..., 1000]."
]
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"source": [
"## [**Constants](#toc0_)\n",
"If a cross section is provided, it should correspond to the excitation wavelength used. Energy transfers refer to absorption spectra, not individual cross sections."
]
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