Hello everybody,
I would like to embed a mayavi scene in a wxPython application to
represent the frame of a molecular dynamic trajectory (e.g. a
(N,3)-numpy array where N is the number of atoms of the molecule). To
keep simple, the application will send to the scene the frame. The frame
can change in contents but also in size as the scene should also be able
to represent a subpart of the molecule defined by indexes (a list of
int). I wrote the following code:
class MolecularViewer(HasTraits):
scene = Instance(MlabSceneModel, ())
indexes = Instance(list)
coords = Array(shape = (None,3))
view = View(Item("scene", editor = SceneEditor(),resizable = True,
show_label = False), resizable = True)
def __init__(self, frame, indexes):
HasTraits.__init__(self)
self.frame = frame
def set_indexes(self; indexes):
self.indexes = sorted(indexes)
@on_trait_change('scene.activated')
def update_view(self):
self.scene.malb.clf(figure = self.scene.mayavi_scene)
x = self.coords[:,0]
y = self.coords[:,1]
z = self.coords[:,2]
s = N.zeros(x.shape)
self.pts = self.scene.mlab.quiver3d(x, y, z, figure =
self.scene.mayavi_scene)
src = ArraySource()
self.scene.mayavi_scene.add_child(src)
src.add_module(self.pts)
@on_trait_change('coords')
def update_coords(self):
x = self.coords[:,0]
y = self.coords[:,1]
z = self.coords[:,2]
self.pts.mlab_source.set(x = x, y = y, z = z)
@on_trait_change('indexes')
def update_indexes(self):
self.coords = self.frame.array[self.indexes,:]
def _coords_default(self):
coords = self.frame
return coords
def _indexes_default(self):
indexes = range(0, len(self.frame))
return indexes
And here is my problem: the code crash when I change the indexes with
the following error:
Traceback (most recent call last):
File
"C:\Python27\lib\site-packages\enthought\traits\trait_notifiers.py",
line 367, in call_2
self.handler( object, new )
File
"C:\Python27\lib\site-packages\enthought\mayavi\tools\sources.py", line
258, in _z_changed
self.points[:,2] = z
ValueError: shape mismatch: objects cannot be broadcast to a single shape
It seems that once initialized, it is not possible to dynamically
reallocate the size of the x, y z. Am I right ?
Do you see any hint to get around that problem ?
On a general point of view, is my design OK or did I misunderstand
something with the mayavi/traits mechanism ?
In almost of examples I could find on the web, the constructor of the
HasTraits subclass is never used. Can it be avoided in case such as mine
where the data to be scened can change ? If no, can the use of setter
such as my set_indexes method be avoided ?
thanks a lot guys
Eric
--
Eric Pellegrini
Calcul Scientifique
Institut Laue-Langevin
Grenoble, France
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