pyemma.plots.plot_free_energy¶
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pyemma.plots.
plot_free_energy
(xall, yall, weights=None, ax=None, nbins=100, offset=0.1, cmap='spectral', cbar=True, cbar_label='Free energy (kT)')¶ Free energy plot given 2D scattered data
Builds a 2D-histogram of the given data points and plots -log(p) where p is the probability computed from the histogram count.
Parameters: - xall (ndarray(T)) – sample x-coordinates
- yall (ndarray(T)) – sample y-coordinates
- weights (ndarray(T), default = None) – sample weights. By default all samples have the same weight
- ax (matplotlib Axes object, default = None) – the axes to plot to. When set to None the default Axes object will be used.
- nbins (int, default=100) – number of histogram bins used in each dimension
- offset (float, default=0.1) – small additive shift to the histogram. This creates a small bias to the distribution, but gives a better visual impression with the default colormap.
- cmap (matplotlib colormap, optional, default = None) – the color map to use. None will use pylab.cm.spectral.
- cbar (boolean, default=True) – plot a color bar
- cbar_label (str or None, default='Free energy (kT)') – colorbar label string. Use None to suppress it.
Returns: - ax (Axes object containing the plot)
- fig (Figure object containing the plot)