def updateMessage(self, msg = ""):
"""
Updates the message box with an informative message based on the
current page and current selected atom type.
@param msg: The message to display in the Property Manager message
box. If called with an empty string (the default), a
strandard message is displayed.
@type msg: str
"""
if msg:
self.MessageGroupBox.insertHtmlMessage(msg)
return
if not self.elementChooser:
return
element = self.elementChooser.element
if element.symbol in ALL_PAM_ATOMS:
atom_or_PAM_atom_string = ' pseudoatom'
else:
atom_or_PAM_atom_string = ' atom'
if self.elementChooser.isVisible():
msg = "Double click in empty space to insert a single " \
+ element.name + atom_or_PAM_atom_string + "."
if not element.symbol in NOBLEGASES:
msg += "Click on an atom's <i>red bondpoint</i> to attach a " \
+ element.name + atom_or_PAM_atom_string +" to it."
if element.symbol in PAMATOMS:
msg ="Note: this pseudoatom can only be deposited onto a strand sugar"\
" and will disappear if deposited in free space"
else: # Bonds Tool is selected
if self.parentMode.cutBondsAction.isChecked():
msg = "<b> Cut Bonds </b> tool is active. \
Click on bonds in order to delete them."
self.MessageGroupBox.insertHtmlMessage(msg)
return
if not hasattr(self.parentMode, 'bondclick_v6'):
return
if self.parentMode.bondclick_v6:
name = btype_from_v6(self.parentMode.bondclick_v6)
msg = "Click bonds or bondpoints to make them %s bonds." % name
# Post message.
self.MessageGroupBox.insertHtmlMessage(msg)
def updateBuildAtomsMessage(self):
"""Updates the message box with an informative message based on the current page
and current selected atom type.
"""
msg = ""
if self.MMKit_groupBox.isVisible():
pageIndex = self.mmkit_tab.currentIndex()
page = None
if pageIndex is 0: # atomsPage
msg = "Double click in empty space to insert a single " + self.elm.name + " atom. "
if not self.elm.symbol in noblegases:
msg += "Click on an atom's <i>red bondpoint</i> to attach a " + self.elm.name + " atom to it."
elif pageIndex is 1: # clipboardPage
pastableItems = self.w.assy.shelf.get_pastable_chunks()
if pastableItems:
msg = "Double click in empty space to insert a copy of the selected clipboard item. \
Click on a <i>red bondpoint</i> to attach a copy of the selected clipboard item."
else:
msg = "There are no items on the clipboard."
elif pageIndex is 2: # libraryPage
msg = "Double click in empty space to insert a copy of the selected part in the library."
else: # Bonds Tool is selected (MMKit groupbox is hidden).
if self.parentMode.cutBondsAction.isChecked():
msg = "<b> Cut Bonds </b> tool is active. \
Click on bonds in order to delete them."
self.MessageGroupBox.insertHtmlMessage(msg)
return
if not hasattr(self, 'bondclick_v6'): # Mark 2007-06-01
return
if self.bondclick_v6:
name = btype_from_v6(self.bondclick_v6)
msg = "Click bonds or bondpoints to make them %s bonds." % name # name is 'single' etc
# Post message.
self.MessageGroupBox.insertHtmlMessage(msg)
def _bond_type_menu_section(bond): #bruce 050716; replaces bond_type_submenu_spec for Alpha6
"""
Return a menu_spec for changing the bond_type of this bond
(as one or more checkmark items, one per permitted bond-type given the atomtypes),
or if the bond-type is unchangeable, a disabled menu item for displaying the type
(which looks the same as when the bond type is changeable, except for being disabled).
(If the current bond type is not permitted, it's still present and checked, but disabled,
and it might have a warning saying it's illegal.)
"""
# this assert is true, but it would cause an import loop:
## assert isinstance(bond, Bond)
btype_now = btype_from_v6(bond.v6)
poss1 = possible_bond_types(bond) # a list of strings which are bond-type names, in order of increasing bond order
poss, permitted1, permitted2 = possible_bond_types_for_elements(bond) # new feature 060703
##e could put weird ones (graphitic, carbomeric) last and/or in parens, in subtext below
types = list(poss)
for btype in poss1:
if btype not in types:
print "should never happen: %r not in %r" % (btype, poss) # intentional: "not in types" above, "not in poss" here
types.append(btype)
if btype_now not in types:
types.append(btype_now) # put this one last, since it's illegal; warning for it is computed later
assert len(types) > 0
# types is the list of bond types for which to make menu items, in order;
# now make them, and figure out which ones are checked and/or disabled;
# we disable even legal ones iff there is only one bond type in types
# (which means, if current type is illegal, it is disabled and the sole legal type is enabled).
disable_legal_types = (len(types) == 1)
res = []
for btype in types: # include current value even if it's illegal
subtext = "%s bond" % btype # this string might be extended below
checked = (btype == btype_now)
command = ( lambda arg1=None, arg2=None, btype=btype, bond=bond: apply_btype_to_bond(btype, bond) )
warning = warning2 = ""
if btype not in poss:
# illegal btype (note: it will be the current one, and thus be the only checked one)
warning = "illegal"
disabled = True
else:
# legal btype
warning = bond_type_warning(bond, btype) # might be "" (or None??) for no warning
if btype not in poss1:
# new feature 060703
# try1: too long and boring (when in most menu entries):
## warning2 = "would change atomtypes"
# try2: say which atomtypes we'd change to, in same order of atoms as the bond name
v6 = v6_from_btype(btype)
atype1 = best_atype(bond.atom1, permitted1[v6])
atype2 = best_atype(bond.atom2, permitted2[v6])
in_order = [atype1, atype2] ##e stub; see code in Bond.__str__
warning2 = "%s<->%s" % tuple([atype.name for atype in in_order])
disabled = disable_legal_types
# might change this if some neighbor bonds are locked (nim), or if we want to show non-possible choices
if warning2:
subtext += " (%s)" % warning2
if warning:
subtext += " (%s)" % warning
res.append(( subtext, command,
disabled and 'disabled' or None,
checked and 'checked' or None ))
##e if >1 legal value, maybe we should add a toggleable checkmark item to permit "locking" the bond to its current bond type;
# this won't be needed until we have better bond inference (except maybe for bondpoints),
# since right now [still true 060703] we never alter real bond types except when the user does an action on that specific bond.
if not bond.is_open_bond():
## command = ( lambda arg1 = None, arg2 = None, bond = bond: bond.bust() )
command = ( lambda bond = bond: delete_bond(bond) )
res.append(None) # separator
res.append(("Delete Bond", command))
return res
def _bond_type_menu_section(
bond): #bruce 050716; replaces bond_type_submenu_spec for Alpha6
"""
Return a menu_spec for changing the bond_type of this bond
(as one or more checkmark items, one per permitted bond-type given the atomtypes),
or if the bond-type is unchangeable, a disabled menu item for displaying the type
(which looks the same as when the bond type is changeable, except for being disabled).
(If the current bond type is not permitted, it's still present and checked, but disabled,
and it might have a warning saying it's illegal.)
"""
# this assert is true, but it would cause an import loop:
## assert isinstance(bond, Bond)
btype_now = btype_from_v6(bond.v6)
poss1 = possible_bond_types(
bond
) # a list of strings which are bond-type names, in order of increasing bond order
poss, permitted1, permitted2 = possible_bond_types_for_elements(
bond) # new feature 060703
##e could put weird ones (graphitic, carbomeric) last and/or in parens, in subtext below
types = list(poss)
for btype in poss1:
if btype not in types:
print "should never happen: %r not in %r" % (
btype, poss
) # intentional: "not in types" above, "not in poss" here
types.append(btype)
if btype_now not in types:
types.append(
btype_now
) # put this one last, since it's illegal; warning for it is computed later
assert len(types) > 0
# types is the list of bond types for which to make menu items, in order;
# now make them, and figure out which ones are checked and/or disabled;
# we disable even legal ones iff there is only one bond type in types
# (which means, if current type is illegal, it is disabled and the sole legal type is enabled).
disable_legal_types = (len(types) == 1)
res = []
for btype in types: # include current value even if it's illegal
subtext = "%s bond" % btype # this string might be extended below
checked = (btype == btype_now)
command = (lambda arg1=None, arg2=None, btype=btype, bond=bond:
apply_btype_to_bond(btype, bond))
warning = warning2 = ""
if btype not in poss:
# illegal btype (note: it will be the current one, and thus be the only checked one)
warning = "illegal"
disabled = True
else:
# legal btype
warning = bond_type_warning(
bond, btype) # might be "" (or None??) for no warning
if btype not in poss1:
# new feature 060703
# try1: too long and boring (when in most menu entries):
## warning2 = "would change atomtypes"
# try2: say which atomtypes we'd change to, in same order of atoms as the bond name
v6 = v6_from_btype(btype)
atype1 = best_atype(bond.atom1, permitted1[v6])
atype2 = best_atype(bond.atom2, permitted2[v6])
in_order = [atype1, atype2] ##e stub; see code in Bond.__str__
warning2 = "%s<->%s" % tuple(
[atype.name for atype in in_order])
disabled = disable_legal_types
# might change this if some neighbor bonds are locked (nim), or if we want to show non-possible choices
if warning2:
subtext += " (%s)" % warning2
if warning:
subtext += " (%s)" % warning
res.append((subtext, command, disabled and 'disabled'
or None, checked and 'checked' or None))
##e if >1 legal value, maybe we should add a toggleable checkmark item to permit "locking" the bond to its current bond type;
# this won't be needed until we have better bond inference (except maybe for bondpoints),
# since right now [still true 060703] we never alter real bond types except when the user does an action on that specific bond.
if not bond.is_open_bond():
## command = ( lambda arg1 = None, arg2 = None, bond = bond: bond.bust() )
command = (lambda bond=bond: delete_bond(bond))
res.append(None) # separator
res.append(("Delete Bond", command))
return res
