def start(self):
cmd = pymol.cmd
if cmd._COb is not None:
raise RuntimeError('can only start SingletonPyMOL once')
with pymol2_lock:
cmd._COb = _cmd._new(pymol, pymol.invocation.options)
_cmd._start(cmd._COb, cmd)
# this instance tracking is redundant with the "cmd" module itself
self._COb = cmd._COb
self.cmd = cmd
def __init__(self, scheme=None): # initialize a PyMOL instance
pymol2_lock.acquire(1)
try:
pymol._init_internals(self)
self.invocation = self._invocation
options = self.invocation.options
if scheme != None: #
if scheme == "presentation":
options.quiet = 0
options.show_splash = 0
options.external_gui = 0
options.internal_feedback = 0
options.no_quit = 1
options.internal_gui = 0
options.presentation = 1
elif scheme == "widget": # An embedded widget of some type
options.quiet = 0
options.show_splash = 0
options.external_gui = 0
options.internal_feedback = 1
options.no_quit = 1
else:
options.show_splash = 0 # suppress this annoyance by default
self._COb = _cmd._new(self, self.invocation.options)
# initialize the cmd API
self.cmd = Cmd(self, self._COb)
# begin assembling the instance member by member
# key instance methods
self.exec_str = pymol.exec_str
self.adapt_to_hardware = pymol.adapt_to_hardware
self.exec_deferred = pymol.exec_deferred
# Python components
self.util = pymol.util
self.menu = pymol.menu
self.setting = pymol.setting
self.povray = pymol.povray
self.preset = pymol.preset
except:
traceback.print_exc()
pymol2_lock.release()
def start(self):
cmd = pymol.cmd
if cmd._COb is not None:
raise RuntimeError('can only start SingletonPyMOL once')
with pymol2_lock:
cmd._COb = _cmd._new(pymol, pymol.invocation.options)
_cmd._start(cmd._COb, cmd)
# this instance tracking is redundant with the "cmd" module itself
self._COb = cmd._COb
self.cmd = cmd
def __init__(self,scheme=None): # initialize a PyMOL instance
pymol2_lock.acquire(1)
try:
pymol._init_internals(self)
self.invocation = self._invocation
options = self.invocation.options
if scheme!=None: #
if scheme == 'presentation':
options.quiet = 0
options.show_splash = 0
options.external_gui = 0
options.internal_feedback = 0
options.no_quit = 1
options.internal_gui = 0
options.presentation = 1
elif scheme == 'widget': # An embedded widget of some type
options.quiet = 0
options.show_splash = 0
options.external_gui = 0
options.internal_feedback = 1
options.no_quit = 1
else:
options.show_splash = 0 # suppress this annoyance by default
self._COb = _cmd._new(self,self.invocation.options)
# initialize the cmd API
self.cmd = Cmd(self,self._COb)
# begin assembling the instance member by member
# key instance methods
self.exec_str = pymol.exec_str
self.adapt_to_hardware = pymol.adapt_to_hardware
self.exec_deferred = pymol.exec_deferred
# Python components
self.util = pymol.util
self.menu = pymol.menu
self.setting = pymol.setting
self.povray = pymol.povray
self.preset = pymol.preset
except:
traceback.print_exc()
pymol2_lock.release()
def __init__(self, parent, enable_ui, filename="", unit_cell=False):
f = QGLFormat()
f.setStencil(True)
f.setRgba(True)
f.setDepth(True)
f.setDoubleBuffer(True)
QGLWidget.__init__(self, f, parent=parent)
self.setMinimumSize(250, 250)
self._enable_ui = enable_ui
# set pymol invocation options
self.pymol = pymol2.PyMOL() # _pymolPool.getInstance()
self.pymol.invocation.options.quiet = 1
del (self.pymol._COb, self.pymol.cmd)
self.pymol._COb = _cmd._new(self.pymol, self.pymol.invocation.options)
self.pymol.cmd = pymol2.cmd2.Cmd(self.pymol, self.pymol._COb)
self.pymol.start()
# other initialisation
self.cmd = self.pymol.cmd
self.model_name = os.path.basename(os.path.splitext(filename)[0])
self.zoom_level = 1
# self.toPymolName = self.pymol.toPymolName ### Attribute Error
self._pymolProcess()
if not self._enable_ui:
self.pymol.cmd.set("internal_gui", 0)
self.pymol.cmd.set("internal_feedback", 0)
self.pymol.cmd.button("double_left", "None", "None")
self.pymol.cmd.button("single_right", "None", "None")
#self.pymol.start()
self.pymol.cmd.bg_color(color="white")
self.load(filename)
self.pymol.cmd.do("set antialias, 1")
self.pymol.cmd.do("set ray_trace_mode, 1")
self.pymol.cmd.do("show_as spheres")
self.pymol.cmd.do("set sphere_mode, 4")
self.pymol.cmd.do("set internal_gui=0")
self.pymol.cmd.do("zoom center, {}".format(self.zoom_level))
self._show_cell(unit_cell)
self.pymol.reshape(self.width(), self.height())
self.pymol.cmd.viewport(self.width(), self.height())
self._timer = QtCore.QTimer()
self._timer.setSingleShot(True)
self._timer.timeout.connect(self._pymolProcess)
self.resizeGL(self.width(), self.height())
#globalSettings.settingsChanged.connect(self._updateGlobalSettings)
self._updateGlobalSettings()
def __init__(self, scheme=None): # initialize a PyMOL instance
from .cmd2 import Cmd
with pymol2_lock:
pymol._init_internals(self)
self.invocation = self._invocation
options = self.invocation.options
if scheme != None: #
if scheme == 'presentation':
options.quiet = 0
options.show_splash = 0
options.external_gui = 0
options.internal_feedback = 0
options.no_quit = 1
options.internal_gui = 0
options.presentation = 1
elif scheme == 'widget': # An embedded widget of some type
options.quiet = 0
options.show_splash = 0
options.external_gui = 0
options.internal_feedback = 1
options.no_quit = 1
else:
options.show_splash = 0 # suppress this annoyance by default
self._COb = _cmd._new(self, self.invocation.options)
# initialize the cmd API
self.cmd = Cmd(self, self._COb)
# begin assembling the instance member by member
self.glutThread = None
def __init__(self,scheme=None): # initialize a PyMOL instance
from .cmd2 import Cmd
with pymol2_lock:
pymol._init_internals(self)
self.invocation = self._invocation
options = self.invocation.options
if scheme!=None: #
if scheme == 'presentation':
options.quiet = 0
options.show_splash = 0
options.external_gui = 0
options.internal_feedback = 0
options.no_quit = 1
options.internal_gui = 0
options.presentation = 1
elif scheme == 'widget': # An embedded widget of some type
options.quiet = 0
options.show_splash = 0
options.external_gui = 0
options.internal_feedback = 1
options.no_quit = 1
else:
options.show_splash = 0 # suppress this annoyance by default
self._COb = _cmd._new(self,self.invocation.options)
# initialize the cmd API
self.cmd = Cmd(self,self._COb)
# begin assembling the instance member by member
self.glutThread = None