def voron( to_ipe = False ):
from draw_gl import drawgl
from voron import Voron
import vec_gl
import ucell_gl
import voron_gl
import voron_inout
def draw_with( eng ):
eng.clear()
vo = Voron( *u.rep )
eng( vo )
u.to_decart()
for n, vs in u*1: ## for each atoms in extended unitcell
r, col = UCell.data[ n ]
col = [ x/255.0 for x in col ]
for v in vo.touch( vs ):
eng( v, r = r, color = col, invis = False )
eng( n, pos = v )
for v in vo.has( vs ): ## only draw atoms which are in Voron cell
if not vo.touch( v ):
eng( v, r = r, color = col, invis = False )
eng( n, pos = v )
def save2ipe( *args ):
from draw_ipe import drawipe
i = 0
fname = '/tmp/out_%s.ipe'
while os.path.exists( fname % i ):
i += 1
fname = fname % i
print 'saving to %s...' % fname
drawipe.setup_drawgl( drawgl )
draw_with( drawipe )
drawipe.save( fname )
def minimize( *args ):
global u
u = u.to_min()
draw_with( drawgl )
draw_with( drawgl )
if to_ipe:
drawgl.button( 'save to ipe', save2ipe )
if args.min:
drawgl.button( 'minimize', minimize )
drawgl.start()
def voron(to_ipe=False):
from draw_gl import drawgl
from voron import Voron
import vec_gl
import ucell_gl
import voron_gl
import voron_inout
def draw_with(eng):
eng.clear()
vo = Voron(*u.rep)
eng(vo)
u.to_decart()
for n, vs in u * 1: ## for each atoms in extended unitcell
r, col = UCell.data[n]
col = [x / 255.0 for x in col]
for v in vo.touch(vs):
eng(v, r=r, color=col, invis=False)
eng(n, pos=v)
for v in vo.has(vs): ## only draw atoms which are in Voron cell
if not vo.touch(v):
eng(v, r=r, color=col, invis=False)
eng(n, pos=v)
def save2ipe(*args):
from draw_ipe import drawipe
i = 0
fname = '/tmp/out_%s.ipe'
while os.path.exists(fname % i):
i += 1
fname = fname % i
print 'saving to %s...' % fname
drawipe.setup_drawgl(drawgl)
draw_with(drawipe)
drawipe.save(fname)
def minimize(*args):
global u
u = u.to_min()
draw_with(drawgl)
draw_with(drawgl)
if to_ipe:
drawgl.button('save to ipe', save2ipe)
if args.min:
drawgl.button('minimize', minimize)
drawgl.start()
vo1 = Voron(*r1)
vo2 = Voron(*r2)
ds1 = r1.to_dots(5, 5, 5)
ds2 = r2.to_dots(2, 2, 2)
drawgl(vo1)
drawgl(vo2)
for v in r2:
drawgl(v, style="line")
for d in vo2.has(ds1):
drawgl(d, r=0.05, color=(0, 1, 0))
for d in vo2.has(ds2):
drawgl(d, r=0.06, color=(1, 0, 0))
drawgl.start()
print "%s %s %s" % tuple(r2[0])
print "%s %s %s" % tuple(r2[1])
print "%s %s %s" % tuple(r2[2])
for d in vo2.has(ds2):
print "b %s %s %s" % tuple(d)
for d in vo2.has(ds1):
print "a %s %s %s" % tuple(d)
def draw(to_ipe=False):
from draw_gl import drawgl
import vec_gl
import ucell_gl
drawgl(u)
drawgl.start()
vo1.draw()
for p in plns[n].touch(fd1):
p.draw(r=0.02, color=(0, 1, 0))
for p in plns[n].touch(fd2):
p.draw(r=0.04, color=(1, 0, 0))
nl, n = None, 1
def up(*args):
global nl, n
if n < len(plns) - 1:
nl, n = n, n + 1
draw(nl, n)
def down(*args):
global nl, n
if n > 0:
nl, n = n, n - 1
draw(nl, n)
drawgl.button("up", up)
drawgl.button("down", down)
drawgl.start()
