def testIsolevel(self):
cmd.viewport(100, 100)
cmd.fragment('gly', 'm1')
cmd.set('gaussian_b_floor', 30)
cmd.set('mesh_width', 5)
cmd.map_new('map')
cmd.delete('m1')
# make mesh
cmd.isodot('dot', 'map')
cmd.isodot('dot', 'map', source_state=1, state=-2)
## check mesh presence by color
meshcolor = 'red'
cmd.color(meshcolor, 'dot')
self.ambientOnly()
self.assertImageHasColor(meshcolor)
cmd.frame(2)
self.assertEqual(cmd.get_state(), 2)
self.assertImageHasColor(meshcolor)
for contourlvl in range(7):
cmd.isolevel('dot', contourlvl)
self.assertImageHasColor(meshcolor)
cmd.isolevel('dot', 10)
self.assertImageHasNotColor(meshcolor)
def test(self):
cmd.viewport(100,100)
cmd.set('gaussian_b_floor', 20)
cmd.set('ambient', 1)
cmd.set('specular', 0)
cmd.set('mesh_color', 'blue')
cmd.set('dot_color', 'green')
cmd.fragment('gly')
cmd.map_new('map1')
cmd.disable('*')
cmd.isomesh('o1', 'map1')
cmd.color('red', 'o1')
cmd.show('cell')
self._check_colors('red', 'blue')
cmd.delete('o1')
cmd.isodot('o1', 'map1')
cmd.color('red', 'o1')
self._check_colors('green')
cmd.delete('o1')
cmd.gradient('o1', 'map1')
cmd.color('yellow', 'o1')
self._check_colors('yellow')
cmd.delete('o1')
def testIsodot(self):
cmd.viewport(100, 100)
cmd.fragment('gly', 'm1')
cmd.set('gaussian_b_floor', 30)
cmd.set('mesh_width', 5)
cmd.map_new('map')
cmd.delete('m1')
# make mesh
cmd.isodot('dot', 'map')
cmd.isodot('dot', 'map', source_state=1, state=-2)
## check mesh presence by color
meshcolor = 'red'
cmd.color(meshcolor, 'dot')
self.ambientOnly()
self.assertImageHasColor(meshcolor)
cmd.frame(2)
self.assertEqual(cmd.get_state(), 2)
self.assertImageHasColor(meshcolor)
with testing.mktemp('.pse') as filename:
cmd.save(filename)
cmd.delete('*')
self.assertImageHasNotColor(meshcolor)
cmd.load(filename)
self.assertImageHasColor(meshcolor)
cmd.frame(2)
self.assertEqual(cmd.get_state(), 2)
self.assertImageHasColor(meshcolor)
def edot(event):
delcrea()
try:
if len(nameit.get()) < 1:
showinfo("Error", 'Enter a name for the object')
interior.mainloop()
elif len(pdbname.get()) < 1:
showinfo('Error', "Enter the Map Filename")
interior.mainloop()
else:
cmd.isodot(nameit.get(), pdbname.get(), contour1.get())
except:
showinfo("Error", 'No map is present')
interior.mainloop()
def edot(event):
delcrea()
try:
if len(nameit.get()) < 1:
showinfo("Error", 'Enter a name for the object')
interior.mainloop()
elif len(pdbname.get()) < 1:
showinfo('Error', "Enter the Map Filename")
interior.mainloop()
else:
cmd.isodot(nameit.get(), pdbname.get(), contour1.get())
except:
showinfo("Error", 'No map is present')
interior.mainloop()
def edot1(event):
delcrea()
try:
if len(nameit.get()) < 1:
showinfo("Error", 'Enter a name for the object')
interior.mainloop()
elif len(pdbname.get()) < 1:
showinfo('Error', "Enter the Map Filename")
interior.mainloop()
else:
cmd.isodot(nameit.get(), pdbname.get(), contour1.get(), ('sele'))
except:
cmd.orient('all')
showinfo("Error", 'No map is present\n Or there is no selection ("sele")')
interior.mainloop()
def edot1(event):
delcrea()
try:
if len(nameit.get()) < 1:
showinfo("Error", 'Enter a name for the object')
interior.mainloop()
elif len(pdbname.get()) < 1:
showinfo('Error', "Enter the Map Filename")
interior.mainloop()
else:
cmd.isodot(nameit.get(), pdbname.get(), contour1.get(),
('sele'))
except:
cmd.orient('all')
showinfo("Error",
'No map is present\n Or there is no selection ("sele")')
interior.mainloop()
def edot(*args):
delcrea()
try:
cmd.isodot('map1','map', contour1.get())
except:
try:
cmd.set("suspend_updates",1,quiet=1)
cmd.remove("hydro")
cmd.enable('all')
cmd.map_new('map',"gaussian","0.75", 'all')
cmd.isodot("map1", "map", 9999.0, 'all')
cmd.set("suspend_updates",0,quiet=1)
cmd.refresh()
cmd.isodot('map1','map', contour1.get())
except:
showinfo("Error", 'No PDB is present')
interior.mainloop()
def edot(*args):
delcrea()
try:
cmd.isodot('map1', 'map', contour1.get())
except:
try:
cmd.set("suspend_updates", 1, quiet=1)
cmd.remove("hydro")
cmd.enable('all')
cmd.map_new('map', "gaussian", "0.75", 'all')
cmd.isodot("map1", "map", 9999.0, 'all')
cmd.set("suspend_updates", 0, quiet=1)
cmd.refresh()
cmd.isodot('map1', 'map', contour1.get())
except:
showinfo("Error", 'No PDB is present')
interior.mainloop()
def edot1(event):
delcrea()
try:
cmd.isodot('map1','map', contour1.get(), 'sele')
except:
try:
cmd.set("suspend_updates",1,quiet=1)
cmd.remove("hydro")
cmd.enable('all')
cmd.map_new('map',"gaussian","0.75", 'all')
cmd.isodot("map1", "map", 9999.0, 'all')
cmd.set("suspend_updates",0,quiet=1)
cmd.refresh()
cmd.isodot('map1','map', contour1.get(), 'sele')
cmd.get_names('all')
except:
cmd.orient('all')
showinfo("Error", 'No PDB is present\nOr there is no selection ('"sele"')')
interior.mainloop()
def edot1(event):
delcrea()
try:
cmd.isodot('map1', 'map', contour1.get(), 'sele')
except:
try:
cmd.set("suspend_updates", 1, quiet=1)
cmd.remove("hydro")
cmd.enable('all')
cmd.map_new('map', "gaussian", "0.75", 'all')
cmd.isodot("map1", "map", 9999.0, 'all')
cmd.set("suspend_updates", 0, quiet=1)
cmd.refresh()
cmd.isodot('map1', 'map', contour1.get(), 'sele')
cmd.get_names('all')
except:
cmd.orient('all')
showinfo(
"Error", 'No PDB is present\nOr there is no selection ('
"sele"
')')
interior.mainloop()
def dot_sticks():
cmd.hide('everything')
glb.update()
cmd.map_new('map', "gaussian", "0.75", 'all')
cmd.isodot("map1", "map", 9999.0, 'all')
cmd.isodot('map1', 'map', '1')
def dot_sticks():
cmd.hide('everything')
glb.update()
cmd.map_new('map', "gaussian", "0.75", 'all')
cmd.isodot("map1", "map", 9999.0, 'all')
cmd.isodot('map1', 'map', '1')