def init_gui(self):
if self.propMgr is None:
self.propMgr = FusePropertyManager(self)
#@bug BUG: following is a workaround for bug 2494
changes.keep_forever(self.propMgr)
self.propMgr.show()
self.change_fuse_mode(str(self.propMgr.fuseComboBox.currentText()))
# This maintains state of fuse mode when leaving/reentering mode,
# and syncs the PM and glpane (and does a gl_update).
self.w.toolsFuseChunksAction.setChecked(1)
self.updateCommandToolbar(bool_entering = True)
# connect signals
#(these all need to be disconnected in restore_gui) [mark 050901]
self.connect_or_disconnect_signals(True)
if self.o.assy.selmols:
self.graphicsMode.something_was_picked = True
class FuseChunks_Command(Move_Command, fusechunksBase):
"""
Allows user to move chunks and fuse them to other chunks in the part.
Two fuse methods are supported:
1. Make Bonds - bondpoints between chunks will form bonds when they are
near each other.
2. Fuse Atoms - atoms between chunks will be fused when they overlap each
other.
"""
# class constants
commandName = 'FUSECHUNKS'
default_mode_status_text = "Mode: Fuse Chunks"
featurename = "Fuse Chunks Mode"
bondable_pairs = [] # List of bondable singlets
ways_of_bonding = {} # Number of bonds each singlet found
bondable_pairs_atoms = [] # List of atom pairs that can be bonded
overlapping_atoms = [] # List of overlapping atoms
tol = 1.0 # in Angstroms
# For "Make Bonds", tol is the distance between two bondable singlets
# For "Fuse Atoms", tol is the distance between two atoms to be
# considered overlapping
fuse_mode = '' # The Fuse mode, either 'Make Bonds' or 'Fuse Atoms'.
propMgr = None
GraphicsMode_class = FuseChunks_GraphicsMode
def _create_GraphicsMode(self):
GM_class = self.GraphicsMode_class
assert issubclass(GM_class, GraphicsMode_API)
args = [self]
kws = {}
self.graphicsMode = GM_class(*args, **kws)
self.translate_graphicsMode = Translate_in_FuseChunks_GraphicsMode(*args, **kws)
self.rotate_graphicsMode = Rotate_in_FuseChunks_GraphicsMode(*args, **kws)
def init_gui(self):
if self.propMgr is None:
self.propMgr = FusePropertyManager(self)
#@bug BUG: following is a workaround for bug 2494
changes.keep_forever(self.propMgr)
self.propMgr.show()
self.change_fuse_mode(str(self.propMgr.fuseComboBox.currentText()))
# This maintains state of fuse mode when leaving/reentering mode,
# and syncs the PM and glpane (and does a gl_update).
self.w.toolsFuseChunksAction.setChecked(1)
self.updateCommandToolbar(bool_entering = True)
# connect signals
#(these all need to be disconnected in restore_gui) [mark 050901]
self.connect_or_disconnect_signals(True)
if self.o.assy.selmols:
self.graphicsMode.something_was_picked = True
#if self.propMgr.isTranslateGroupBoxActive:
## toggle on the Move Free action in the Property Manager
#self.propMgr.transFreeButton.setChecked(True)
#self.graphicsMode.moveOption = 'MOVEDEFAULT'
#else:
#self.propMgr.rotateFreeButton.setChecked(True)
#self.graphicsrotateOption = 'ROTATEDEFAULT'
def restore_gui(self):
self.updateCommandToolbar(bool_entering = False)
self.connect_or_disconnect_signals(False)
self.w.toolsFuseChunksAction.setChecked(False)
self.propMgr.close()
def connect_or_disconnect_signals(self, connect):
if connect:
change_connect = self.w.connect
else:
change_connect = self.w.disconnect
change_connect(self.exitFuseAction, SIGNAL("triggered()"),
self.w.toolsDone)
#Connect or disconnect signals in property manager
self.propMgr.connect_or_disconnect_signals(connect)
return
def Backup(self):
"""
Undo any bonds made between chunks.
"""
# This undoes only the last fused chunks. Will work on supporting
# multiple undos when we get a single undo working. Mark 050326
# Bust bonds between last pair/set of fused chunks.
if self.bondable_pairs_atoms:
for a1, a2 in self.bondable_pairs_atoms:
b = a1.get_neighbor_bond(a2)
if b: b.bust()
if self.merged_chunks:
nchunks_str = "%d" % (len(self.merged_chunks) + 1,)
msg = "Fuse Chunks: Bonds broken between %s chunks." % (nchunks_str)
env.history.message(msg)
msg = "Warning: Cannot separate the original chunks. You can " \
"do this yourself using <b>Modify > Separate</b>."
env.history.message(orangemsg(msg))
cnames = "Their names were: "
# Here are the original names...
for chunk in self.merged_chunks:
cnames += '[' + chunk.name + '] '
env.history.message(cnames)
self.o.gl_update()
else:
msg = "Fuse Chunks: No bonds have been made yet. Undo ignored."
env.history.message(redmsg(msg))
def tolerance_changed(self, val):
"""
Slot for tolerance slider.
"""
self.tol = val * .01
if self.o.assy.selmols:
self.o.gl_update()
else:
# Since no chunks are selected, there are no bonds, but the slider
# tolerance label still needs
# updating. This fixed bug 502-14. Mark 050407
self.reset_tolerance_label()
def reset_tolerance_label(self):
"""
Reset the tolerance label to 0 bonds or 0 overlapping atoms
"""
if self.fuse_mode == MAKEBONDS:
tol_str = fusechunks_lambda_tol_nbonds(self.tol, 0, 0, 0) # 0 bonds
else:
# 0 overlapping atoms
tol_str = fusechunks_lambda_tol_natoms(self.tol, 0)
tolerenceLabel = tol_str
self.propMgr.toleranceSlider.labelWidget.setText(tolerenceLabel)
def change_fuse_mode(self, fuse_mode):
"""
Sets the Fuse mode
"""
if self.fuse_mode == fuse_mode:
return # The mode did not change. Don't do anything.
self.fuse_mode = str(fuse_mode) # Must cast here.
if self.fuse_mode == MAKEBONDS:
self.propMgr.fusePushButton.setText('Make Bonds')
else:
self.propMgr.fusePushButton.setText('Fuse Atoms')
self.propMgr.updateMessage()
self.o.gl_update() # the Draw() method will update based on the current
#combo box item.
def find_fusables(self):
"""
Finds bondable pairs or overlapping atoms, based on the
Fuse Action combo box
"""
if self.fuse_mode == MAKEBONDS:
self.find_bondable_pairs()
else:
self.find_overlapping_atoms()
def find_bondable_pairs(self, chunk_list = None):
"""
Checks the bondpoints of the selected chunk to see if they are close
enough to bond with any other bondpoints in a list of chunks.
Hidden chunks are skipped.
"""
tol_str = fusechunksBase.find_bondable_pairs(self, chunk_list, None)
tolerenceLabel = tol_str
self.propMgr.toleranceSlider.labelWidget.setText(tolerenceLabel)
def fuse_something(self):
"""
Slot for 'Make Bonds/Fuse Atoms' button.
"""
if self.fuse_mode == MAKEBONDS:
self.make_bonds()
else:
self.fuse_atoms()
def make_bonds(self):
"""
Make bonds between all bondable pairs of singlets
"""
self._make_bonds_1()
self._make_bonds_2()
self._make_bonds_3()
self._make_bonds_4()
def _make_bonds_2(self):
# Merge the chunks if the "merge chunks" checkbox is checked
if self.propMgr.mergeChunksCheckBox.isChecked() and self.bondable_pairs_atoms:
for a1, a2 in self.bondable_pairs_atoms:
# Ignore a1, they are atoms from the selected chunk(s)
# It is possible that a2 is an atom from a selected chunk,
# so check it
if a2.molecule != a1.molecule:
if a2.molecule not in self.merged_chunks:
self.merged_chunks.append(a2.molecule)
a1.molecule.merge(a2.molecule)
def _make_bonds_4(self):
msg = fix_plurals( "%d bond(s) made" % self.total_bonds_made)
env.history.message(msg)
# Update the slider tolerance label. This fixed bug 502-14. Mark 050407
self.reset_tolerance_label()
if self.bondable_pairs_atoms:
# This must be done before gl_update, or it will try to draw the
# bondable singlets again, which generates errors.
self.bondable_pairs = []
self.ways_of_bonding = {}
self.w.win_update()
######### Overlapping Atoms methods #############
def find_overlapping_atoms(self):
"""
Checks atoms of the selected chunk to see if they overlap atoms
in other chunks of the same type (element). Hidden chunks are skipped.
"""
# Future versions should allow more flexible rules for overlapping
# atoms, but this needs to be discussed with others before implementing
# anything.
# For now, only atoms of the same type qualify as overlapping atoms.
# As is, it is extremely useful for fusing chunks of diamond,
# lonsdaleite or SiC,
# which is done quite a lot with casings. This will save me hours of
# modeling work.
# Mark 050902
self.overlapping_atoms = []
for chunk in self.o.assy.selmols:
if chunk.hidden or chunk.display == diINVISIBLE:
# Skip selected chunk if hidden or invisible.
# Fixes bug 970. mark 060404
continue
# Loop through all the mols in the part to search for bondable
# pairs of singlets.
for mol in self.o.assy.molecules:
if chunk is mol:
continue # Skip itself
if mol.hidden or mol.display == diINVISIBLE:
continue # Skip hidden or invisible chunks
if mol in self.o.assy.selmols:
continue # Skip other selected chunks
# Skip this mol if its bounding box does not overlap the
# selected chunk's bbox.
# Remember: chunk = a selected chunk, mol = a non-selected
# chunk.
if not chunk.overlapping_chunk(mol, self.tol):
# print "Skipping ", mol.name
continue
else:
# Loop through all the atoms in the selected chunk.
# Use values() if the loop ever modifies chunk or mol--
for a1 in chunk.atoms.itervalues():
# Singlets can't be overlapping atoms --
if a1.element is Singlet:
continue
# We can skip mol if the atom lies outside its bbox.
if not mol.overlapping_atom(a1, self.tol):
continue
# Loop through all the atoms in this chunk.
for a2 in mol.atoms.itervalues():
# Only atoms of the same type can be overlapping.
# This also screens singlets, since a1 can't be a
# singlet.
if a1.element is not a2.element:
continue
# Compares the distance between a1 and a2.
# If the distance
# is <= tol, then we have an overlapping atom.
# I know this isn't a proper use of tol,
# but it works for now. Mark 050901
if vlen (a1.posn() - a2.posn()) <= self.tol:
# Add this pair to the list--
self.overlapping_atoms.append( (a1,a2) )
# No need to check other atoms in this chunk--
break
# Update tolerance label and status bar msgs.
natoms = len(self.overlapping_atoms)
tol_str = fusechunks_lambda_tol_natoms(self.tol, natoms)
tolerenceLabel = tol_str
self.propMgr.toleranceSlider.labelWidget.setText(tolerenceLabel)
def fuse_atoms(self):
"""
Deletes overlapping atoms found with the selected chunk(s).
Only the overlapping atoms from the unselected chunk(s) are deleted.
If the "Merge Chunks" checkbox
is checked, then find_bondable_pairs() and make_bonds() is called,
resulting in the merging of chunks.
"""
total_atoms_fused = 0 # The total number of atoms fused.
# fused_chunks stores the list of chunks that contain overlapping atoms
# (but no selected chunks, though)
fused_chunks = []
# Delete overlapping atoms.
for a1, a2 in self.overlapping_atoms:
if a2.molecule not in fused_chunks:
fused_chunks.append(a2.molecule)
a2.kill()
# print "Fused chunks list:", fused_chunks
# Merge the chunks if the "merge chunks" checkbox is checked
if self.propMgr.mergeChunksCheckBox.isChecked() and self.overlapping_atoms:
# This will bond and merge the selected chunks only with
# chunks that had overlapping atoms.
#& This has bugs when the bonds don't line up nicely between
# overlapping atoms in the selected chunk
#& and the bondpoints of the deleted atoms' neighbors.
# Needs a bug report. mark 060406.
self.find_bondable_pairs(fused_chunks)
self.make_bonds()
# Print history msgs to inform the user what happened.
total_atoms_fused = len(self.overlapping_atoms)
msg = fix_plurals( "%d atom(s) fused with %d chunk(s)" % (total_atoms_fused, len(fused_chunks)))
env.history.message(msg)
#"%s => %s overlapping atoms" % (tol_str, natoms_str)
# Update the slider tolerance label.
self.reset_tolerance_label()
self.overlapping_atoms = []
# This must be done before win_update(), or it will try to draw the
# overlapping atoms again, which generates errors.
self.w.win_update()
#Command Toolbar to be revised ============================================
def getFlyoutActionList(self): #Ninad 20070618
"""
Returns a tuple that contains mode spcific actionlists in the
added in the flyout toolbar of the mode.
CommandToolbar._createFlyoutToolBar method calls this
@return: params: A tuple that contains 3 lists:
(subControlAreaActionList, commandActionLists, allActionsList)
"""
#'allActionsList' returns all actions in the flyout toolbar
#including the subcontrolArea actions
allActionsList = []
#Action List for subcontrol Area buttons.
#In this mode, there is really no subcontrol area.
#We will treat subcontrol area same as 'command area'
#(subcontrol area buttons will have an empty list as their command area
#list). We will set the Comamnd Area palette background color to the
#subcontrol area.
subControlAreaActionList =[]
self.exitFuseAction = NE1_QWidgetAction(self.w, win = self.w)
self.exitFuseAction.setText("Exit Fuse")
self.exitFuseAction.setCheckable(True)
self.exitFuseAction.setChecked(True)
self.exitFuseAction.setIcon(
geticon("ui/actions/Toolbars/Smart/Exit.png"))
subControlAreaActionList.append(self.exitFuseAction)
separator = QAction(self.w)
separator.setSeparator(True)
subControlAreaActionList.append(separator)
allActionsList.extend(subControlAreaActionList)
#Empty actionlist for the 'Command Area'
commandActionLists = []
#Append empty 'lists' in 'commandActionLists equal to the
#number of actions in subControlArea
for i in range(len(subControlAreaActionList)):
lst = []
commandActionLists.append(lst)
params = (subControlAreaActionList, commandActionLists, allActionsList)
return params
def updateCommandToolbar(self, bool_entering = True):#Ninad 20070618
"""
Update the command toolbar
"""
# object that needs its own flyout toolbar. In this case it is just
#the mode itself.
action = self.w.toolsFuseChunksAction
obj = self
self.w.commandToolbar.updateCommandToolbar(action,
obj,
entering =bool_entering)
