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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15358 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-22 22:57:54 +00:00
parent 2f936d5e56
commit 778f4d338c
22 changed files with 694 additions and 246 deletions
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31
python/examples/pizza/gl.py
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@ -6,6 +6,9 @@
# certain rights in this software. This software is distributed under
# the GNU General Public License.
# for python3 compatibility
from __future__ import print_function
# gl tool
oneline = "3d interactive visualization via OpenGL"
@ -73,7 +76,7 @@ g.ldef() default = 0 fill
if atom/bond/tri/line has type > # defined properties, is an error
from vizinfo import colors access color list
print colors list defined color names and RGB values
print(colors) list defined color names and RGB values
colors["nickname"] = [R,G,B] set new RGB values from 0 to 255
140 pre-defined colors: red, green, blue, purple, yellow, black, white, etc
@ -499,7 +502,7 @@ class gl:
# add GL-specific info to each bond
def reload(self):
print "Loading data into gl tool ..."
print("Loading data into gl tool ...")
data = self.data
self.timeframes = []
@ -527,9 +530,9 @@ class gl:
self.triframes.append(tris)
self.lineframes.append(lines)
print time,
print(time,end='')
sys.stdout.flush()
print
print()
self.nframes = len(self.timeframes)
self.distance = compute_distance(self.boxframes[0])
@ -651,7 +654,7 @@ class gl:
self.w.tkRedraw()
self.save(file)
print time,
print(time,end='')
sys.stdout.flush()
i += 1
n += 1
@ -690,7 +693,7 @@ class gl:
fraction*(self.scale_stop - self.scale_start)
self.viewupright()
if n == nstart or self.panflag: self.center = compute_center(box)
if n == nstart or self.panflag: self.center = compute_center(box)
if bonds: self.bonds_augment(bonds)
@ -706,11 +709,11 @@ class gl:
self.w.tkRedraw()
self.save(file)
print n,
print(n,end='')
sys.stdout.flush()
n += 1
print "\n%d images" % ncount
print("\n%d images" % ncount)
# --------------------------------------------------------------------
@ -776,11 +779,11 @@ class gl:
ncolor = self.vizinfo.nlcolor
for line in self.linedraw:
itype = int(line[1])
if itype > ncolor: raise StandardError,"line type too big"
if itype > ncolor: raise StandardError("line type too big")
red,green,blue = self.vizinfo.lcolor[itype]
glColor3f(red,green,blue)
thick = self.vizinfo.lrad[itype]
glLineWidth(thick)
glLineWidth(thick)
glBegin(GL_LINES)
glVertex3f(line[2],line[3],line[4])
glVertex3f(line[5],line[6],line[7])
@ -825,7 +828,7 @@ class gl:
for bond in self.bonddraw:
if bond[10] > bound: continue
itype = int(bond[1])
if itype > ncolor: raise StandardError,"bond type too big"
if itype > ncolor: raise StandardError("bond type too big")
red,green,blue = self.vizinfo.bcolor[itype]
rad = self.vizinfo.brad[itype]
glPushMatrix()
@ -848,7 +851,7 @@ class gl:
ncolor = self.vizinfo.ntcolor
for tri in self.tridraw:
itype = int(tri[1])
if itype > ncolor: raise StandardError,"tri type too big"
if itype > ncolor: raise StandardError("tri type too big")
red,green,blue = self.vizinfo.tcolor[itype]
glMaterialfv(GL_FRONT_AND_BACK,GL_EMISSION,[red,green,blue,1.0]);
glMaterialf(GL_FRONT_AND_BACK,GL_SHININESS,self.shiny);
@ -906,7 +909,7 @@ class gl:
ymin >= ylo and ymax <= yhi and zmin >= zlo and zmax <= zhi:
if bond[10] > bound: continue
itype = int(bond[1])
if itype > ncolor: raise StandardError,"bond type too big"
if itype > ncolor: raise StandardError("bond type too big")
red,green,blue = self.vizinfo.bcolor[itype]
rad = self.vizinfo.brad[itype]
glPushMatrix()
@ -938,7 +941,7 @@ class gl:
ymin >= ylo and ymax <= yhi and \
zmin >= zlo and zmax <= zhi:
itype = int(tri[1])
if itype > ncolor: raise StandardError,"tri type too big"
if itype > ncolor: raise StandardError("tri type too big")
red,green,blue = self.vizinfo.tcolor[itype]
glMaterialfv(GL_FRONT_AND_BACK,GL_EMISSION,
[red,green,blue,1.0]);