def constructModel(self, elm, pos, dispMode):
"""
This is to try to repeat what 'make_Atom_and_bondpoints()' method does,
but hope to remove some stuff not needed here.
The main purpose is to build the geometry model for element display.
@param elm: An object of class Elem
@param elm: L{Elem}
@param dispMode: the display mode of the atom
@type dispMode: int
@return: the Chunk which contains the geometry model.
@rtype: L{Chunk}
"""
assy = Assembly(None, run_updaters=False)
assy.set_glpane(self) # sets .o and .glpane
mol = Chunk(assy, 'dummy')
atm = Atom(elm.symbol, pos, mol)
atm.display = dispMode
## bruce 050510 comment: this is approximately how you should change the atom type (e.g. to sp2) for this new atom:
if self.hybrid_type_name:
atm.set_atomtype_but_dont_revise_singlets(self.hybrid_type_name)
## see also atm.element.atomtypes -> a list of available atomtype objects for that element
## (which can be passed to set_atomtype_but_dont_revise_singlets)
atm.make_bondpoints_when_no_bonds()
self.elementMode = True
return mol
def constructModel(self, elm, pos, dispMode):
"""
This is to try to repeat what 'make_Atom_and_bondpoints()' method does,
but hope to remove some stuff not needed here.
The main purpose is to build the geometry model for element display.
@param elm: An object of class Elem
@param elm: L{Elem}
@param dispMode: the display mode of the atom
@type dispMode: int
@return: the Chunk which contains the geometry model.
@rtype: L{Chunk}
"""
assy = Assembly(None, run_updaters = False)
assy.set_glpane(self) # sets .o and .glpane
mol = Chunk(assy, 'dummy')
atm = Atom(elm.symbol, pos, mol)
atm.display = dispMode
## bruce 050510 comment: this is approximately how you should change the atom type (e.g. to sp2) for this new atom:
if self.hybrid_type_name:
atm.set_atomtype_but_dont_revise_singlets(self.hybrid_type_name)
## see also atm.element.atomtypes -> a list of available atomtype objects for that element
## (which can be passed to set_atomtype_but_dont_revise_singlets)
atm.make_bondpoints_when_no_bonds()
self.elementMode = True
return mol
class PM_PartLib(PM_GroupBox):
"""
The PM_PartLib class provides a groupbox containing a partlib directory
The selected part in this list is shown by its elementViewer
(an instance of L{PM_PreviewGroupBox})
The part being previewed can then be deposited into the 3D workspace.
"""
def __init__(self,
parentWidget,
title = 'Part Library',
win = None,
elementViewer = None
):
self.w = win
self.elementViewer = elementViewer
# piotr 080410 changed diTUBES to diTrueCPK
self.elementViewer.setDisplay(diTrueCPK)
self.partLib = None
self.newModel = None
PM_GroupBox.__init__(self, parentWidget, title)
self._loadPartLibGroupBox()
def connect_or_disconnect_signals(self, isConnect):
"""
Connect or disconnect widget signals sent to their slot methods.
@param isConnect: If True the widget will send the signals to the slot
method.
@type isConnect: boolean
"""
##if isConnect:
## change_connect = self.w.connect
##else:
## change_connect = self.w.disconnect
#Following doesn't work for some reasons so this call is disabled.
#Instead , see PM_TreeView.mouseReleaseEvent where self.partChanged is
#called.
##change_connect(self.partLib,
## SIGNAL("selectionChanged(QItemSelection *,\
## QItemSelection *)"),
## self.partChanged)
pass
def _loadPartLibGroupBox(self):
"""
"""
self.partLib = PM_TreeView(self)
self.gridLayout.addWidget(self.partLib)
#Append to the widget list. This is important for expand -collapse
#functions (of the groupbox) to work properly.
self._widgetList.append(self.partLib)
def _updateElementViewer(self, newModel = None):
"""
Update the view of L{self.elementViewer}
@param newModel: The model correseponding to the item selected
in L{self.clipboardListWidget}.
@type newModel: L{molecule} or L{Group}
"""
if not self.elementViewer:
return
assert isinstance(self.elementViewer, MMKitView)
self.elementViewer.resetView()
if newModel:
self.elementViewer.updateModel(newModel)
def partChanged(self, selectedItem):
"""
Method called when user changed the partlib browser tree.
@param selectedItem: Item currently selected in the L{self.partLib}
@type selectedItem: L{self.partLib.FileItem}
@attention: This is called in the L{PM_TreeView.mouseReleaseEvent}. The
'selectionChanged' signal for self.partLib apparently was not emitted
so that code has been removed.
"""
#Copying some old code from deprecated MMKit.py -- ninad 2007-09-06
item = selectedItem
self.newModel = None
if isinstance(item, self.partLib.FileItem):
mmpFile = str(item.getFileObj())
if os.path.isfile(mmpFile):
self.newModel = \
Assembly(self.w,
os.path.normpath(mmpFile),
run_updaters = True # desirable for PartLib [bruce 080403]
)
self.newModel.set_glpane(self.elementViewer) # sets its .o and .glpane
readmmp(self.newModel, mmpFile)
self.newModel.update_parts() #k not sure if needed after readmmp
self.newModel.checkparts()
if self.newModel.shelf.members:
for m in self.newModel.shelf.members[:]:
m.kill() #k guess about a correct way to handle them
self.newModel.update_parts() #k probably not needed
self.newModel.checkparts() #k probably not needed
self._updateElementViewer(self.newModel)
class PM_PartLib(PM_GroupBox):
"""
The PM_PartLib class provides a groupbox containing a partlib directory
The selected part in this list is shown by its elementViewer
(an instance of L{PM_PreviewGroupBox})
The part being previewed can then be deposited into the 3D workspace.
"""
def __init__(self,
parentWidget,
title='Part Library',
win=None,
elementViewer=None):
self.w = win
self.elementViewer = elementViewer
# piotr 080410 changed diTUBES to diTrueCPK
self.elementViewer.setDisplay(diTrueCPK)
self.partLib = None
self.newModel = None
PM_GroupBox.__init__(self, parentWidget, title)
self._loadPartLibGroupBox()
def connect_or_disconnect_signals(self, isConnect):
"""
Connect or disconnect widget signals sent to their slot methods.
@param isConnect: If True the widget will send the signals to the slot
method.
@type isConnect: boolean
"""
##if isConnect:
## change_connect = self.w.connect
##else:
## change_connect = self.w.disconnect
#Following doesn't work for some reasons so this call is disabled.
#Instead , see PM_TreeView.mouseReleaseEvent where self.partChanged is
#called.
##change_connect(self.partLib,
## SIGNAL("selectionChanged(QItemSelection *,\
## QItemSelection *)"),
## self.partChanged)
pass
def _loadPartLibGroupBox(self):
"""
"""
self.partLib = PM_TreeView(self)
self.gridLayout.addWidget(self.partLib)
#Append to the widget list. This is important for expand -collapse
#functions (of the groupbox) to work properly.
self._widgetList.append(self.partLib)
def _updateElementViewer(self, newModel=None):
"""
Update the view of L{self.elementViewer}
@param newModel: The model correseponding to the item selected
in L{self.clipboardListWidget}.
@type newModel: L{molecule} or L{Group}
"""
if not self.elementViewer:
return
assert isinstance(self.elementViewer, MMKitView)
self.elementViewer.resetView()
if newModel:
self.elementViewer.updateModel(newModel)
def partChanged(self, selectedItem):
"""
Method called when user changed the partlib browser tree.
@param selectedItem: Item currently selected in the L{self.partLib}
@type selectedItem: L{self.partLib.FileItem}
@attention: This is called in the L{PM_TreeView.mouseReleaseEvent}. The
'selectionChanged' signal for self.partLib apparently was not emitted
so that code has been removed.
"""
#Copying some old code from deprecated MMKit.py -- ninad 2007-09-06
item = selectedItem
self.newModel = None
if isinstance(item, self.partLib.FileItem):
mmpFile = str(item.getFileObj())
if os.path.isfile(mmpFile):
self.newModel = \
Assembly(self.w,
os.path.normpath(mmpFile),
run_updaters = True # desirable for PartLib [bruce 080403]
)
self.newModel.set_glpane(
self.elementViewer) # sets its .o and .glpane
readmmp(self.newModel, mmpFile)
self.newModel.update_parts(
) #k not sure if needed after readmmp
self.newModel.checkparts()
if self.newModel.shelf.members:
for m in self.newModel.shelf.members[:]:
m.kill() #k guess about a correct way to handle them
self.newModel.update_parts() #k probably not needed
self.newModel.checkparts() #k probably not needed
self._updateElementViewer(self.newModel)
