write_table

write_table(fname, label=None, T_min=None, T_max=None, nT=64, err_tol=0.01, rate_min=1e-30, rate_max=1e100, fast_log=False, format="auto", include_all=False, verbose=False)

General-purpose version of to_hdf5 / to_txt. Tabulates reaction rate coefficients on a temperature grid and writes to a text or HDF5 file. Format is inferred from the file extension when format="auto".

Parameters

fname : str or Path

Output file path. When format="auto", .txt → text, .hdf / .hdf5 → HDF5.

label : str or None, optional

Dataset label written into the file header. Defaults to self.label.

T_min : float or None, optional

Minimum temperature in Kelvin. Inferred from reaction.tmin values when not supplied.

T_max : float or None, optional

Maximum temperature in Kelvin. Inferred from reaction.tmax values when not supplied.

nT : int, optional

Initial number of temperature grid points. Adaptive refinement may increase this significantly. Default 64.

err_tol : float or None, optional

Maximum permitted relative interpolation error. None skips adaptive refinement and returns exactly nT points. Default 0.01.

rate_min : float, optional

Small positive floor used in the relative-error denominator to avoid division by zero for near-zero rates. Default 1e-30.

rate_max : float, optional

Upper clamp applied to each rate before storing; prevents overflow in log-rate arithmetic. Default 1e100.

fast_log : bool, optional

If True, temperature grid is uniform in fast_log2 space rather than log10 space. Default False.

format : str, optional

"hdf5", "txt", or "auto" (inferred from extension). Default "auto".

include_all : bool, optional

If True, include all reactions even if they contain NaN values or have a constant rate. Default False.

verbose : bool, optional

Print tabulation progress. Default False.

Raises

ValueError

If format is not one of the supported strings, or if format="auto" and the file extension is not recognised.