shnitsel.core.plot.pca_biplot

Functions

binning_with_min_entries(nbins, angles, ...)

calc_angle(point)

calc_dist(point)

circbins(angles[, nbins, center])

cluster_general(decider, n)

cluster_loadings(loadings[, cutoff])

extrude(x, y, xmin, xmax, ymin, ymax)

figax([fig, ax])

Create figure and axes-object if an axes-object is not supplied.

filter_cluster_coords(coords, n)

get_clusters_coords(loadings, atomcomb_clusters)

get_loadings(frames)

get_mask(angles, theta1, theta2[, seam])

highlight_pairs(mol, pairs)

mpl_imshow_png(ax, png, **imshow_kws)

pick_clusters(frames, nbins)

plot_bin_edges(angles, radii, bins, edges, ...)

plot_clusters(loadings, clusters[, ax, labels])

plot_clusters2(ax, loadings, clusters, mol)

plot_clusters3(loadings, clusters[, ax, ...])

plot_loadings(ax, loadings)

plot_noodleplot(noodle[, hops, fig, ax, c, ...])

plot_noodleplot_lines(noodle[, ax, cmap, ...])

separate_angles(points[, min_angle])

show_atom_numbers(atXYZ[, charge, ...])