def tkdrawer(filename):
geos = read(filename,do_center=1)
geo = geos[-1]
nat = len(geo)
objects = []
for i in range(nat):
atnoi,xyzi = geo[i]
xi,yi,zi = xyzi
for j in range(i):
atnoj,xyzj = geo[j]
xj,yj,zj = xyzj
rij = distance(xyzi,xyzj)
rij0 = 0.6*(radius[atnoi]+radius[atnoj])
if 0.3 < rij < rij0:
xm,ym,zm = (xi+xj)/2.,(yi+yj)/2.,(zi+zj)/2.
objects.append(PolyLine3D(array([[xi,yi,zi],[xm,ym,zm]]),
color='blue'))
objects.append(PolyLine3D(array([[xj,yj,zj],[xm,ym,zm]]),
color='red'))
graphics = VisualizationGraphics(objects)
window = Frame()
window.pack(fill=BOTH, expand=YES)
c = VisualizationCanvas(window, "100m", "100m", relief=SUNKEN, border=2)
c.pack(side=TOP, fill=BOTH, expand=YES)
c.draw(graphics)
Button(window, text='Draw',
command=lambda o=graphics: c.draw(o)).pack(side=LEFT)
Button(window, text='Clear', command=c.clear).pack(side=LEFT)
Button(window, text='Redraw', command=c.redraw).pack(side=LEFT)
Button(window, text='Quit', command=window.quit).pack(side=RIGHT)
window.mainloop()
from Pistol.Util import distance
from Pistol.XYZ import read
for filename in sys.argv[1:]:
geos = read(filename,do_center=1)
geo = geos[-1]
spheres = []
for atno,(x,y,z) in geo:
r,g,b = color[atno]
rad = radius[atno]
rad *= 0.25
r /= 255.
g /= 255.
b /= 255.
spheres.append(((x,y,z),rad,(r,g,b),20,20))
cyls = []
nat = len(geo)
for i in range(nat):
atno1,(x1,y1,z1) = geo[i]
for j in range(i):
atno2,(x2,y2,z2) = geo[j]
r12 = distance((x1,y1,z1),(x2,y2,z2))
r12o = 0.6*(radius[atno1]+radius[atno2])
if 0.3 < r12 < r12o:
cyls.append(((x1,y1,z1),(x2,y2,z2),0.15,20,(0.5,0.5,0.5)))
bs = BSWindow(spheres,cyls)
bs.run()
