def medchem(self,cleanup=0):
if not cleanup:
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/drugdisc.pse"))
cmd.set("use_display_lists",0)
cmd.do("replace_wizard toggle, Medicinal Chemistry")
else:
cmd.set("sphere_scale",1.0)
def medchem(self,cleanup=0):
if not cleanup:
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/drugdisc.pse"))
cmd.set("use_display_lists",0)
cmd.do("replace_wizard toggle, Medicinal Chemistry")
else:
cmd.set("sphere_scale",1.0)
def electro(self,cleanup=0):
if not cleanup:
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/electro.pse"))
cmd.do("replace_wizard toggle, Computational Chemistry (Electrostatics)")
cmd.rock(1)
else:
cmd.rock(0)
def electro(self,cleanup=0):
if not cleanup:
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/electro.pse"))
cmd.do("replace_wizard toggle, Computational Chemistry (Electrostatics)")
cmd.rock(1)
else:
cmd.rock(0)
def testGetSession(self):
cmd.fragment('ala')
x = cmd.count_atoms()
s = cmd.get_session()
cmd.reinitialize()
cmd.set_session(s)
self.assertEqual(['ala'], cmd.get_names())
self.assertEqual(x, cmd.count_atoms())
def testGetSession(self):
cmd.fragment('ala')
x = cmd.count_atoms()
s = cmd.get_session()
cmd.reinitialize()
cmd.set_session(s)
self.assertEqual(['ala'], cmd.get_names())
self.assertEqual(x, cmd.count_atoms())
def structure(self,cleanup=0):
if not cleanup:
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/structure.pse"))
cmd.do("replace_wizard toggle, Structure Alignment")
cmd.set("seq_view_label_mode",1)
cmd.set("seq_view",1)
else:
cmd.set("seq_view_label_mode",0)
cmd.set("seq_view",0)
def structure(self,cleanup=0):
if not cleanup:
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/structure.pse"))
cmd.do("replace_wizard toggle, Structure Alignment")
cmd.set("seq_view_label_mode",1)
cmd.set("seq_view",1)
else:
cmd.set("seq_view_label_mode",0)
cmd.set("seq_view",0)
def testGetMovieLocked(self):
self.assertEqual(cmd.get_movie_locked(), 0)
cmd.mset('1x1')
cmd.mdo(1, 'cmd.color("blue")')
s = cmd.get_session()
cmd.set_session(s)
self.assertEqual(cmd.get_movie_locked(), 1)
cmd.set('security', 0)
cmd.set_session(s)
self.assertEqual(cmd.get_movie_locked(), 0)
def electomo(self,cleanup=0):
if not cleanup:
cmd.feedback("disable","objectsurface","actions")
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/flagellar.pse"))
cmd.set("sweep_mode",3)
cmd.set("sweep_angle",3)
cmd.rock()
cmd.do("replace_wizard toggle, Electron Tomography")
else:
cmd.mstop()
cmd.rock(0)
def electomo(self,cleanup=0):
if not cleanup:
cmd.feedback("disable","objectsurface","actions")
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/flagellar.pse"))
cmd.set("sweep_mode",3)
cmd.set("sweep_angle",3)
cmd.rock()
cmd.do("replace_wizard toggle, Electron Tomography")
else:
cmd.mstop()
cmd.rock(0)
def animate(self,cleanup=0):
if not cleanup:
cmd.set("security",0)
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/animate.pse"))
cmd.rock(1)
cmd.set("field_of_view",23)
cmd.rock(1)
cmd.set("sweep_mode",3)
cmd.set("sweep_angle",10)
cmd.do("replace_wizard toggle, Molecular Animation")
else:
cmd.set("mesh_width",1)
cmd.set("field_of_view",20)
cmd.rock(0)
cmd.mset()
cmd.mstop()
def animate(self,cleanup=0):
if not cleanup:
cmd.set("security",0)
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/animate.pse"))
cmd.rock(1)
cmd.set("field_of_view",23)
cmd.rock(1)
cmd.set("sweep_mode",3)
cmd.set("sweep_angle",10)
cmd.set("sphere_mode",5)
cmd.do("replace_wizard toggle, Molecular Animation")
else:
cmd.set("mesh_width",1)
cmd.set("field_of_view",20)
cmd.rock(0)
cmd.mset()
cmd.mstop()
def test_pse(self):
self.ambientOnly()
viewport = (50, 50)
cmd.viewport(*viewport)
objname = 'simpletri'
obj = []
obj.extend([
cgo.BEGIN, cgo.TRIANGLES, cgo.COLOR, 1.0, 0., 0., cgo.VERTEX, 0.0,
0.0, 1.0, cgo.VERTEX, 1.0, 0.0, 0.0, cgo.VERTEX, 0.0, 1.0, 0.0,
cgo.END
])
cmd.load_cgo(obj, objname, 1)
s = cmd.get_session()
cmd.set_session(s)
self.assertEqual([objname], cmd.get_names())
self.assertImageHasColor('red')
def test_pse(self):
self.ambientOnly()
viewport = (50, 50)
cmd.viewport(*viewport)
objname = 'simpletri'
obj = []
obj.extend([
cgo.BEGIN, cgo.TRIANGLES,
cgo.COLOR, 1.0, 0., 0.,
cgo.VERTEX, 0.0, 0.0, 1.0,
cgo.VERTEX, 1.0, 0.0, 0.0,
cgo.VERTEX, 0.0, 1.0, 0.0,
cgo.END
])
cmd.load_cgo(obj, objname, 1)
s = cmd.get_session()
cmd.set_session(s)
self.assertEqual([objname], cmd.get_names())
self.assertImageHasColor('red')
def homology(self, cleanup=0):
if not cleanup:
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/homology.pse"))
cmd.do("replace_wizard toggle, Homology Modeling")
def homology(self,cleanup=0):
if not cleanup:
cmd.set_session(self.get_sess("$PYMOL_DATA/big_demo/homology.pse"))
cmd.do("replace_wizard toggle, Homology Modeling")