cheapmap.py 文件源码

def draw_graph(mst, mst_a, mol_names, dir_names, method):

    import networkx as nx

    G = nx.from_scipy_sparse_matrix(mst)

    if method == 'mcs':
        corr = 1
    else:
        corr = 0

    for i, j in zip(mst.nonzero()[0], mst.nonzero()[1]):
        G.edge[i][j]['label'] = '%.1f' % (mst_a[i][j] - corr)
        G.edge[i][j]['len'] = '3.0'

    for n in G.nodes():
        G.node[n]['shape'] = 'box'
        G.node[n]['label'] = ('<'
        '<table border="0" cellspacing="-20" cellborder="0">'
        '<tr><td><img src="%s"/></td></tr>'
        '<tr><td bgcolor="#F0F0F0">%s</td></tr>'
        '</table>>' % (os.path.join(dir_names[n],
                                    mol_names[n] + os.extsep + 'svg'),
                       mol_names[n]) )

    print('Writing networkx graph pickle file %s...' % GPICKLE_FILE)
    nx.write_gpickle(G, GPICKLE_FILE)

    print('Writing DOT file %s...' % DOT_FILE)
    nx.write_dot(G, DOT_FILE)