Fit Map Class
- class empmap.fit_map.FullMap
- add_fit_bounds(label, guess)
Add bounds to the fit.
Parameters:
- label: str
The label for the map.
- guess: array
The bounds for the fit.
- add_fit_guess(label, guess)
Add an initial guess to the fit.
Parameters:
- label: str
The label for the map.
- guess: array
The initial guess for the fit.
- add_fit_keyword(label, keyword, value)
Add a keyword to the fit.
Parameters:
- label: str
The label for the map.
- keyword: str
The keyword for the fit.
- value: any
The value for the keyword.
- add_map(label, order, xdata, ydata, **kwargs)
Add a map to the FullMap object.
Parameters:
- label: str
The label for the map.
- order: int
The order of the polynomial to fit the map to.
- xdata: array
The xdata for the map.
- ydata: array
The ydata for the map.
- kwargs: dict
Additional keyword arguments to be passed to the Map object.
- add_prebuilt_map(label, popt, **kwargs)
Add a prebuilt map to the FullMap object.
Parameters:
- label: str
The label for the map.
- popt: array
The optimal parameters for the map.
- kwargs: dict
Additional keyword arguments to be passed to the Map object.
- fit_map(label)
Fit a single map to its respective polynomial.
- fit_maps()
Fit all maps to their respective polynomials.
- report_latex_table()
Print a latex table of the fits to the console. Note - uses default parameters.
- report_maps(display=False, histdisplay=False, **kwargs)
Report all maps in the FullMap object.
Parameters:
- display: bool
Whether to display the maps.
- kwargs: dict
Additional keyword arguments to be passed to the display_map function. This really supplies keyword arguments to plt.figure(), so dpi=x, figsize=(x,y) etc.
- class empmap.fit_map.Map(xdata, ydata, xlabel='E', ylabel='w')
-
- add_fit_keyword(keyword, value)
Add a keyword to the fit.
Parameters:
- keyword: str
The keyword for the fit.
- value: any
The value for the keyword.
- add_initial_guess(initial_guess)
Add an initial guess to the fit.
Parameters:
- initial_guess: array
The initial guess for the fit.
- classmethod build_from_map(popt, xdata=None, ydata=None, xlabel='E', ylabel='w')
- calculate_fit_error()
Calculate the error between the data and the fit.
Returns:
- error: array
The error between the data and the fit.
- calculate_r_squared()
Calculate the R^2 value of the fit.
Returns:
- r_squared: float
The R^2 value of the fit.
- calculate_rmse()
Calculate the RMSE value of the fit.
Returns:
- rmse: float
The RMSE value of the fit.
- display_hist2d_map(xvals=None, **kwargs)
Display a 2D histogram of the data.
Parameters:
- bins: tuple
The bins for the histogram.
- cmap: str or Colormap
The colormap for the histogram.
- display_map(xvals=None, **kwargs)
Display the data and the fit on a plot.
- fit_to_poly(degree)
Fit the data to a polynomial of degree ‘degree’ and return the optimal parameters.
Parameters:
- degree: int
The degree of the polynomial to fit the data to.
- kwargs: dict
Additional keyword arguments to be passed to scipy.optimize.curve_fit.
Returns:
- popt: array
The optimal parameters for the polynomial fit.
- get_fit(xdata)
Return the fit for a given xdata.
Parameters:
- xdata: array
The xdata for which to return the fit.
Returns:
- fit: array
The fit for the given xdata.
- remove_fit_keyword(keyword)
Remove a keyword from the fit.
Parameters:
- keyword: str
The keyword to remove from the fit.
- report_latex()
Print a report of the fit to the console in latex format.
- report_latex_line(yunit='\\textrm{cm}^{-1}', xunit='\\textrm{a.u.}', xlabel='E', popt_fmt=None, r_fmt='{:.2f}', rmse_fmt='{:.2f}')
This is a function for reporting a line in a latex table associated with this map.
Parameters:
- yunit: str
The unit for the y-axis.
- xunit: str
The unit for the x-axis.
- xlabel: str
The label for the x-axis.
- popt_fmt: list
The format for the optimal parameters.
- r_fmt: str
The format for the R value.
- rmse_fmt: str
The format for the RMSE value.
Returns:
- line: str
The latex line for the table.
- report_map()
Print a report of the fit to the console.