sp2graph.visual

Visualisation and ploting functions.

sp2graph.visual.viewV(V, figname=None, sizex=5, sizey=5, dpi=150)

Visualize the vertices (nodes)

sp2graph.visual.viewKekule(V, A, DB, L=None, C=None, rad=None, figname=None, sizex=5, sizey=5, dpi=150, annotate=False)

Visualize a single Kekule representation with vertices coordinates ‘V’, adjacency matrix ‘A’ and double-bonds ‘DB’. If provided, constrained bonds ‘C’ are shown with the usual Kekule representation and radicals are marked with a dot next to the vertex.

sp2graph.visual.viewKekuleGrid(V, A, DB, L=None, C=None, rad=None, figname=None, sizex=5, sizey=5, dpi=150, annotate=False)

Visualize a single Kekule representation with vertices coordinates ‘V’, adjacency matrix ‘A’ and double-bonds ‘DB’. If provided, constrained bonds ‘C’ are shown with the usual Kekule representation and radicals are marked with a dot next to the vertex.

sp2graph.visual.viewBondOrderAverage(V, A, DB, L=None, C=None, rad=None, figname=None, sizex=5, sizey=5, dpi=150, annotate=False, astyle='white')

Visualize a single Kekule representation with vertices coordinates ‘V’, adjacency matrix ‘A’ and double-bonds ‘DB’. If provided, constrained bonds ‘C’ are shown with the usual Kekule representation and radicals are marked with a dot next to the vertex.

Parameters:

astyle: {‘white’, ‘boxed’}

Annotation style

sp2graph.visual.viewTBBondOrder(V, BO, L=None, figname=None, sizex=5, sizey=5, dpi=150, annotate=False, astyle='white')

Visualize the bond order estimated from tight-binding approach.

Parameters:

astyle: {‘white’, ‘boxed’}

Annotation style

sp2graph.visual.printAdj(A)

Print out the adjacency matrix