def testGetTitle(self):
cmd.fragment('gly', 'm1')
cmd.create('m1', 'm1', 1, 2)
title = cmd.get_title('m1', 1)
self.assertEqual(title, '')
cmd.set_title('m1', 1, 'foo bar')
title = cmd.get_title('m1', 1)
self.assertEqual(title, 'foo bar')
title = cmd.get_title('m1', 2)
self.assertEqual(title, '')
cmd.set_title('m1', 2, 'second state')
title = cmd.get_title('m1', 2)
self.assertEqual(title, 'second state')
def poke_pymol(self, matrix):
"""Forces PyMOL object to move.
Argument:
matrix -- transformation-rotation-transformation matrix in PyMOL format.
"""
for attached_structure in Registry.objects[self.derived_from].attachment:
if cmd.get_title(*Registry.get(attached_structure, "name", "state")) == "PD":
cmd.transform_object(Registry.get(attached_structure, "name"), matrix)
def load_state_dict(self):
# establish relationship between names and states
# ASSUMPTION: identifiers will be unique
self.state_dict = {}
sd = self.state_dict
so = self.object
if so != None:
cnt = cmd.count_states(so)
for a in range(1, cnt + 1):
sd[cmd.get_title(so, a)] = a
def load_state_dict(self):
# establish relationship between names and states
# ASSUMPTION: identifiers will be unique
self.state_dict = {}
sd = self.state_dict
so = self.object
if so != None:
cnt = cmd.count_states(so)
for a in range(1, cnt + 1):
sd[cmd.get_title(so, a)] = a
def accept(self):
# accept compound and advance
if self.object == None:
print " Filter-Error: Please choose an object first"
else:
state = cmd.get_state()
ident = cmd.get_title(self.object, state)
print " Filter: Accepting '%s'" % ident
self.count(ident, accept_str)
cmd.forward()
cmd.refresh_wizard()
def accept(self):
# accept compound and advance
if self.object == None:
print " Filter-Error: Please choose an object first"
else:
state = cmd.get_state()
ident = cmd.get_title(self.object, state)
print " Filter: Accepting '%s'" % ident
self.count(ident, accept_str)
cmd.forward()
cmd.refresh_wizard()
def _update_transformation(self):
"""Checks if PyMOL object matrix has changed and updates self, if so."""
try:
if cmd.get_title(*Registry.get(self.attachment.main_object, "name", "state")) == "PD":
matrix = cmd.get_object_matrix(Registry.get(self.attachment.main_object, "name"))
self.reset()
self.add_rotation([matrix[:3], matrix[4:7], matrix[8:11]])
self.add_translation([matrix[3], matrix[7], matrix[11]])
self.add_prerotational_translation(list(matrix[12:15]))
except AttributeError:
return
def defer(self):
# defer compound and advance
if self.object == None:
print " Filter-Error: Please choose an object first"
else:
state = cmd.get_state()
ident = cmd.get_title(self.object, state)
print " Filter: Deferring '%s'" % ident
self.check_object_dict()
self.count(ident, defer_str)
cmd.forward()
cmd.refresh_wizard()
def defer(self):
# defer compound and advance
if self.object == None:
print " Filter-Error: Please choose an object first"
else:
state = cmd.get_state()
ident = cmd.get_title(self.object, state)
print " Filter: Deferring '%s'" % ident
self.check_object_dict()
self.count(ident, defer_str)
cmd.forward()
cmd.refresh_wizard()
def get_prompt(self):
# returns text prompt
self.prompt = None
if self.object == None:
self.prompt = ["Please select a multi-state object..."]
else:
cnt = cmd.count_states(self.object)
self.prompt = [
"%s: %d total, %d accepted, %d rejected, %d deferred, %d remaining"
% (self.object, self.tota, self.acce, self.reje, self.defe, self.togo)
]
state = cmd.get_state()
ident = cmd.get_title(self.object, state)
sdo = self.dict[self.object]
if sdo.has_key(ident):
self.prompt.append("%s: %s" % (ident, sdo[ident]))
else:
self.prompt.append("%s?" % (ident))
return self.prompt
def get_prompt(self):
# returns text prompt
self.prompt = None
if self.object == None:
self.prompt = ['Please select a multi-state object...']
else:
cnt = cmd.count_states(self.object)
self.prompt = [
'%s: %d total, %d accepted, %d rejected, %d deferred, %d remaining'
% (self.object, self.tota, self.acce, self.reje, self.defe,
self.togo)
]
state = cmd.get_state()
ident = cmd.get_title(self.object, state)
sdo = self.dict[self.object]
if sdo.has_key(ident):
self.prompt.append('%s: %s' % (ident, sdo[ident]))
else:
self.prompt.append('%s?' % (ident))
return self.prompt
def test_set_title(self):
text = 'foo'
cmd.pseudoatom('m1')
cmd.set_title('m1', 1, text)
self.assertEqual(cmd.get_title('m1', 1), text)
def test_set_title(self):
text = 'foo'
cmd.pseudoatom('m1')
cmd.set_title('m1', 1, text)
self.assertEqual(cmd.get_title('m1', 1), text)