# /,_/ '`-' from ase.io import read from ase.data import covalent_radii as cr from ase.data.colors import jmol_colors as colors_us import numpy as np a = read("POSCAR") zoom = 30 x, y, z = a.get_cell() Tex = Texture(int(x[0] * zoom), int(y[1] * zoom)) colors = [] for col in colors_us: r, g, b = col color = (255, int(r * 255), int(g * 255), int(b * 255)) colors.append(color) for x, atom in enumerate(a): print x num = atom.number color = colors[num] radius = int(cr[num] * zoom) x = atom.position[0] * zoom y = atom.position[1] * zoom depth = -atom.position[2] * zoom Tex.outlined_circle(x, y, radius, color, depth=depth) Tex.save("test.png") Tex.saveDepth("depth.png")
# /,_/ '`-' from ase.io import read from ase.data import covalent_radii as cr from ase.data.colors import jmol_colors as colors_us import numpy as np a = read("POSCAR") zoom = 30 x, y, z = a.get_cell() Tex = Texture(int(x[0]*zoom), int(y[1]*zoom)) colors = [] for col in colors_us: r, g, b = col color = (255, int(r*255), int(g*255), int(b*255)) colors.append(color) for x, atom in enumerate(a): print x num = atom.number color = colors[num] radius = int(cr[num] * zoom) x = atom.position[0]*zoom y = atom.position[1]*zoom depth = -atom.position[2]*zoom Tex.outlined_circle(x, y, radius, color, depth = depth) Tex.save("test.png") Tex.saveDepth("depth.png")