class NanotubeSegment(LeafLikeGroup):
"""
Model object which represents a Nanotube Segment inside a Nanotube Group.
Internally, this is just a specialized Group containing a single chunk,
itself containing all the atoms of a nanotube.
"""
# This should be a tuple of classifications that appear in
# files_mmp._GROUP_CLASSIFICATIONS, most general first.
# See comment in class Group for more info. [bruce 080115]
_mmp_group_classifications = ('NanotubeSegment', )
nanotube = None
_endPoint1 = None
_endPoint2 = None
# TODO: undo or copy code for those attrs,
# and updating them when the underlying structure changes.
# But maybe that won't be needed, if they are replaced
# by computing them from the atom geometry as needed.
# [bruce 080227 comment]
autodelete_when_empty = True
# (but only if current command permits that for this class --
# see comment near Group.autodelete_when_empty for more info,
# and implems of Command.keep_empty_group)
iconPath = "ui/modeltree/NanotubeSegment.png"
hide_iconPath = "ui/modeltree/NanotubeSegment-hide.png"
# This partially fixes bug 2914. Copying now works, but the following
# "warning" is printed to stdout:
# ****************** needs _copyOfObject: <cnt.model.Nanotube.Nanotube instance at 0x164FC030>
# I'm guessing this means that we need to override abstract method
# _copyOfObject() of DataMixin, but I'd like to discuss this with Bruce first.
# I also have confirmed that there is still a bug when editing the
# copied nanotube (it will automatically move from the clipboard
# to the part after it is resized).
# Mark 2008-07-09.
copyable_attrs = _superclass.copyable_attrs + ('nanotube', )
def writemmp_other_info_opengroup(self,
mapping): #bruce 080507 refactoring
"""
"""
#bruce 080507 refactoring (split this out of Group.writemmp)
# (I think the following condition is always true, but I didn't
# prove this just now, so I left in the test for now.)
encoded_classifications = self._encoded_classifications()
if encoded_classifications == "NanotubeSegment":
# This is a nanotube segment, so write the parameters into an info
# record so we can read and restore them in the next session.
# --Mark 2008-04-12
assert self.nanotube
mapping.write("info opengroup nanotube-parameters = %d, %d, %s, %s\n" \
% (self.nanotube.getChiralityN(),
self.nanotube.getChiralityM(),
self.nanotube.getType(),
self.nanotube.getEndings()))
pass
return
def readmmp_info_opengroup_setitem(self, key, val, interp):
"""
[extends superclass method]
"""
#bruce 080507 refactoring (split this out of the superclass method)
if key == ['nanotube-parameters']:
# val includes all the parameters, separated by commas.
n, m, type, endings = val.split(",")
self.n = int(n)
self.m = int(m)
self.type = type.lstrip()
self.endings = endings.lstrip()
# Create the nanotube.
from cnt.model.NanotubeParameters import NanotubeParameters
self.nanotube = NanotubeParameters() # Returns a 5x5 CNT.
self.nanotube.setChirality(self.n, self.m)
self.nanotube.setType(self.type)
self.nanotube.setEndings(self.endings)
# The endpoints are recomputed every time it is edited.
else:
_superclass.readmmp_info_opengroup_setitem(self, key, val, interp)
return
def edit(self):
"""
Edit this NanotubeSegment.
@see: EditNanotube_EditCommand
"""
commandSequencer = self.assy.w.commandSequencer
commandSequencer.userEnterCommand('EDIT_NANOTUBE')
assert commandSequencer.currentCommand.commandName == 'EDIT_NANOTUBE'
commandSequencer.currentCommand.editStructure(self)
return
def getAxisVector(self, atomAtVectorOrigin=None):
"""
Returns the unit axis vector of the segment (vector between two axis
end points)
"""
# REVIEW: use common code for this method? [bruce 081217 comment]
endPoint1, endPoint2 = self.nanotube.getEndPoints()
if endPoint1 is None or endPoint2 is None:
return V(0, 0, 0)
#@see: RotateAboutAPoint command. The following code is disabled
#as it has bugs (not debugged but could be in
#self.nanotube.getEndPoints). So, rotate about a point won't work for
#rotating a nanotube. -- Ninad 2008-05-13
##if atomAtVectorOrigin is not None:
###If atomAtVectorOrigin is specified, we will return a vector that
###starts at this atom and ends at endPoint1 or endPoint2 .
###Which endPoint to choose will be dicided by the distance between
###atomAtVectorOrigin and the respective endPoints. (will choose the
###frthest endPoint
##origin = atomAtVectorOrigin.posn()
##if vlen(endPoint2 - origin ) > vlen(endPoint1 - origin):
##return norm(endPoint2 - endPoint1)
##else:
##return norm(endPoint1 - endPoint2)
return norm(endPoint2 - endPoint1)
def setProps(self, props):
"""
Sets some properties. These will be used while editing the structure.
(but if the structure is read from an mmp file, this won't work. As a
fall back, it returns some constant values)
@see: InsertNanotube_EditCommand.createStructure which calls this method.
@see: self.getProps, EditNanotube_EditCommand.editStructure
"""
(_n, _m), _type, _endings, (_endPoint1, _endPoint2) = props
from cnt.model.NanotubeParameters import NanotubeParameters
self.nanotube = NanotubeParameters()
self.nanotube.setChirality(_n, _m)
self.nanotube.setType(_type)
self.nanotube.setEndings(_endings)
self.nanotube.setEndPoints(_endPoint1, _endPoint2)
def getProps(self):
"""
Returns nanotube parameters necessary for editing.
@see: EditNanotube_EditCommand.editStructure where it is used.
@see: EditNanotube_PropertyManager.getParameters
@see: NanotubeSegmentEditCommand._createStructure
"""
# Recompute the endpoints in case this nanotube was read from
# MMP file (which means this nanotube doesn't have endpoint
# parameters yet).
self.nanotube.computeEndPointsFromChunk(self.members[0])
return self.nanotube.getParameters()
def isAncestorOf(self, obj):
"""
Checks whether the object <obj> is contained within the NanotubeSegment
Example: If the object is an Atom, it checks whether the
atom's chunk is a member of this NanotubeSegment (chunk.dad is self)
It also considers all the logical contents of the NanotubeSegment to determine
whether self is an ancestor. (returns True even for logical contents)
@see: self.get_all_content_chunks() (inherited from LeafLikeGroup)
@see: EditNanotube_GraphicsMode.leftDrag
"""
# TODO: this needs cleanup (it looks like it's made of two alternative
# implems, one after the other), generalization (to use some centrally
# defined notion of logical contents), and optimization. Also, if it
# is still defined in more than one class, common code should be used.
# [bruce 080507/081217 comment]
c = None
if isinstance(obj, Atom):
c = obj.molecule
elif isinstance(obj, Bond):
chunk1 = obj.atom1.molecule
chunk2 = obj.atom1.molecule
if chunk1 is chunk2:
c = chunk1
elif isinstance(obj, Chunk):
c = obj
if c is not None:
if c in self.get_all_content_chunks():
# review: could optimize by (c.dad is self), at least in this class
# [bruce 081217 comment]
return True
#NOTE: Need to check if the isinstance checks are acceptable (apparently
#don't add any import cycle)
if isinstance(obj, Atom):
chunk = obj.molecule
if chunk.dad is self:
return True
else:
return False
elif isinstance(obj, Bond):
chunk1 = obj.atom1.molecule
chunk2 = obj.atom1.molecule
if (chunk1.dad is self) or (chunk2.dad is self):
return True
elif isinstance(obj, Chunk):
if obj.dad is self:
return True
return False
def node_icon(self, display_prefs):
# REVIEW: use common code for this method? [bruce 081217 comment]
del display_prefs
if self.all_content_is_hidden():
return imagename_to_pixmap(self.hide_iconPath)
else:
return imagename_to_pixmap(self.iconPath)
def permit_as_member(self, node, pre_updaters=True, **opts):
"""
[friend method for enforce_permitted_members_in_groups and subroutines]
Does self permit node as a direct member,
when called from enforce_permitted_members_in_groups with
the same options as we are passed?
@rtype: boolean
[extends superclass method]
"""
# this method was copied from DnaStrandOrSegment and edited for this class
if not LeafLikeGroup.permit_as_member(self, node, pre_updaters, **
opts):
# reject if superclass would reject [bruce 081217]
return False
del opts
assy = self.assy
res = isinstance(node, assy.Chunk) #@ NEEDS SOMETHING MORE.
return res
pass # end of class NanotubeSegment
class NanotubeSegment(LeafLikeGroup):
"""
Model object which represents a Nanotube Segment inside a Nanotube Group.
Internally, this is just a specialized Group containing a single chunk,
itself containing all the atoms of a nanotube.
"""
# This should be a tuple of classifications that appear in
# files_mmp._GROUP_CLASSIFICATIONS, most general first.
# See comment in class Group for more info. [bruce 080115]
_mmp_group_classifications = ('NanotubeSegment',)
nanotube = None
_endPoint1 = None
_endPoint2 = None
# TODO: undo or copy code for those attrs,
# and updating them when the underlying structure changes.
# But maybe that won't be needed, if they are replaced
# by computing them from the atom geometry as needed.
# [bruce 080227 comment]
autodelete_when_empty = True
# (but only if current command permits that for this class --
# see comment near Group.autodelete_when_empty for more info,
# and implems of Command.keep_empty_group)
iconPath = "ui/modeltree/NanotubeSegment.png"
hide_iconPath = "ui/modeltree/NanotubeSegment-hide.png"
# This partially fixes bug 2914. Copying now works, but the following
# "warning" is printed to stdout:
# ****************** needs _copyOfObject: <cnt.model.Nanotube.Nanotube instance at 0x164FC030>
# I'm guessing this means that we need to override abstract method
# _copyOfObject() of DataMixin, but I'd like to discuss this with Bruce first.
# I also have confirmed that there is still a bug when editing the
# copied nanotube (it will automatically move from the clipboard
# to the part after it is resized).
# Mark 2008-07-09.
copyable_attrs = _superclass.copyable_attrs + ('nanotube',)
def writemmp_other_info_opengroup(self, mapping): #bruce 080507 refactoring
"""
"""
#bruce 080507 refactoring (split this out of Group.writemmp)
# (I think the following condition is always true, but I didn't
# prove this just now, so I left in the test for now.)
encoded_classifications = self._encoded_classifications()
if encoded_classifications == "NanotubeSegment":
# This is a nanotube segment, so write the parameters into an info
# record so we can read and restore them in the next session.
# --Mark 2008-04-12
assert self.nanotube
mapping.write("info opengroup nanotube-parameters = %d, %d, %s, %s\n" \
% (self.nanotube.getChiralityN(),
self.nanotube.getChiralityM(),
self.nanotube.getType(),
self.nanotube.getEndings()))
pass
return
def readmmp_info_opengroup_setitem( self, key, val, interp ):
"""
[extends superclass method]
"""
#bruce 080507 refactoring (split this out of the superclass method)
if key == ['nanotube-parameters']:
# val includes all the parameters, separated by commas.
n, m, type, endings = val.split(",")
self.n = int(n)
self.m = int(m)
self.type = type.lstrip()
self.endings = endings.lstrip()
# Create the nanotube.
from cnt.model.NanotubeParameters import NanotubeParameters
self.nanotube = NanotubeParameters() # Returns a 5x5 CNT.
self.nanotube.setChirality(self.n, self.m)
self.nanotube.setType(self.type)
self.nanotube.setEndings(self.endings)
# The endpoints are recomputed every time it is edited.
else:
_superclass.readmmp_info_opengroup_setitem( self, key, val, interp)
return
def edit(self):
"""
Edit this NanotubeSegment.
@see: EditNanotube_EditCommand
"""
commandSequencer = self.assy.w.commandSequencer
commandSequencer.userEnterCommand('EDIT_NANOTUBE')
assert commandSequencer.currentCommand.commandName == 'EDIT_NANOTUBE'
commandSequencer.currentCommand.editStructure(self)
return
def getAxisVector(self, atomAtVectorOrigin = None):
"""
Returns the unit axis vector of the segment (vector between two axis
end points)
"""
# REVIEW: use common code for this method? [bruce 081217 comment]
endPoint1, endPoint2 = self.nanotube.getEndPoints()
if endPoint1 is None or endPoint2 is None:
return V(0, 0, 0)
#@see: RotateAboutAPoint command. The following code is disabled
#as it has bugs (not debugged but could be in
#self.nanotube.getEndPoints). So, rotate about a point won't work for
#rotating a nanotube. -- Ninad 2008-05-13
##if atomAtVectorOrigin is not None:
###If atomAtVectorOrigin is specified, we will return a vector that
###starts at this atom and ends at endPoint1 or endPoint2 .
###Which endPoint to choose will be dicided by the distance between
###atomAtVectorOrigin and the respective endPoints. (will choose the
###frthest endPoint
##origin = atomAtVectorOrigin.posn()
##if vlen(endPoint2 - origin ) > vlen(endPoint1 - origin):
##return norm(endPoint2 - endPoint1)
##else:
##return norm(endPoint1 - endPoint2)
return norm(endPoint2 - endPoint1)
def setProps(self, props):
"""
Sets some properties. These will be used while editing the structure.
(but if the structure is read from an mmp file, this won't work. As a
fall back, it returns some constant values)
@see: InsertNanotube_EditCommand.createStructure which calls this method.
@see: self.getProps, EditNanotube_EditCommand.editStructure
"""
(_n, _m), _type, _endings, (_endPoint1, _endPoint2) = props
from cnt.model.NanotubeParameters import NanotubeParameters
self.nanotube = NanotubeParameters()
self.nanotube.setChirality(_n, _m)
self.nanotube.setType(_type)
self.nanotube.setEndings(_endings)
self.nanotube.setEndPoints(_endPoint1, _endPoint2)
def getProps(self):
"""
Returns nanotube parameters necessary for editing.
@see: EditNanotube_EditCommand.editStructure where it is used.
@see: EditNanotube_PropertyManager.getParameters
@see: NanotubeSegmentEditCommand._createStructure
"""
# Recompute the endpoints in case this nanotube was read from
# MMP file (which means this nanotube doesn't have endpoint
# parameters yet).
self.nanotube.computeEndPointsFromChunk(self.members[0])
return self.nanotube.getParameters()
def isAncestorOf(self, obj):
"""
Checks whether the object <obj> is contained within the NanotubeSegment
Example: If the object is an Atom, it checks whether the
atom's chunk is a member of this NanotubeSegment (chunk.dad is self)
It also considers all the logical contents of the NanotubeSegment to determine
whether self is an ancestor. (returns True even for logical contents)
@see: self.get_all_content_chunks() (inherited from LeafLikeGroup)
@see: EditNanotube_GraphicsMode.leftDrag
"""
# TODO: this needs cleanup (it looks like it's made of two alternative
# implems, one after the other), generalization (to use some centrally
# defined notion of logical contents), and optimization. Also, if it
# is still defined in more than one class, common code should be used.
# [bruce 080507/081217 comment]
c = None
if isinstance(obj, Atom):
c = obj.molecule
elif isinstance(obj, Bond):
chunk1 = obj.atom1.molecule
chunk2 = obj.atom1.molecule
if chunk1 is chunk2:
c = chunk1
elif isinstance(obj, Chunk):
c = obj
if c is not None:
if c in self.get_all_content_chunks():
# review: could optimize by (c.dad is self), at least in this class
# [bruce 081217 comment]
return True
#NOTE: Need to check if the isinstance checks are acceptable (apparently
#don't add any import cycle)
if isinstance(obj, Atom):
chunk = obj.molecule
if chunk.dad is self:
return True
else:
return False
elif isinstance(obj, Bond):
chunk1 = obj.atom1.molecule
chunk2 = obj.atom1.molecule
if (chunk1.dad is self) or (chunk2.dad is self):
return True
elif isinstance(obj, Chunk):
if obj.dad is self:
return True
return False
def node_icon(self, display_prefs):
# REVIEW: use common code for this method? [bruce 081217 comment]
del display_prefs
if self.all_content_is_hidden():
return imagename_to_pixmap( self.hide_iconPath)
else:
return imagename_to_pixmap( self.iconPath)
def permit_as_member(self, node, pre_updaters = True, **opts):
"""
[friend method for enforce_permitted_members_in_groups and subroutines]
Does self permit node as a direct member,
when called from enforce_permitted_members_in_groups with
the same options as we are passed?
@rtype: boolean
[extends superclass method]
"""
# this method was copied from DnaStrandOrSegment and edited for this class
if not LeafLikeGroup.permit_as_member(self, node, pre_updaters, **opts):
# reject if superclass would reject [bruce 081217]
return False
del opts
assy = self.assy
res = isinstance( node, assy.Chunk) #@ NEEDS SOMETHING MORE.
return res
pass # end of class NanotubeSegment
