def firstDerivative(self):
fstDeriveV = Numeric.array(
[[-0.125, -0.25, -0.125], [0.0, 0.0, 0.0], [0.125, 0.25, 0.125]],
'f')
self.redraw(filter=fstDeriveV)
derivV = self.imageAsArray()
if derivV is None:
return None
fstDeriveV = Numeric.array(
[[0.125, 0.25, 0.125], [0.0, 0.0, 0.0], [-0.125, -0.25, -0.125]],
'f')
self.redraw(filter=fstDeriveV)
derivV += self.imageAsArray()
fstDeriveH = Numeric.array(
[[-0.125, 0.0, 0.125], [-0.25, 0.0, 0.25], [-0.125, 0.0, 0.125]],
'f')
self.redraw(filter=fstDeriveH)
derivH = self.imageAsArray()
fstDeriveH = Numeric.array(
[[0.125, 0.0, -0.125], [0.25, 0.0, -0.25], [0.125, 0.0, -0.125]],
'f')
self.redraw(filter=fstDeriveH)
derivH += self.imageAsArray()
deriv = Numeric.fabs(derivH * 0.5) + Numeric.fabs(derivV * 0.5)
return deriv.astype('B')
def firstDerivative(self):
fstDeriveV = Numeric.array([ [-0.125, -0.25, -0.125],
[ 0.0 , 0.0, 0.0 ],
[ 0.125, 0.25, 0.125] ], 'f')
self.redraw(filter=fstDeriveV)
derivV = self.imageAsArray()
if derivV is None:
return None
fstDeriveV = Numeric.array([ [ 0.125, 0.25, 0.125],
[ 0.0 , 0.0, 0.0 ],
[-0.125, -0.25, -0.125] ], 'f')
self.redraw(filter=fstDeriveV)
derivV += self.imageAsArray()
fstDeriveH = Numeric.array([ [-0.125, 0.0, 0.125],
[-0.25 , 0.0, 0.25 ],
[-0.125, 0.0, 0.125] ], 'f')
self.redraw(filter=fstDeriveH)
derivH = self.imageAsArray()
fstDeriveH = Numeric.array([ [ 0.125, 0.0, -0.125],
[ 0.25 , 0.0, -0.25 ],
[ 0.125, 0.0, -0.125] ], 'f')
self.redraw(filter=fstDeriveH)
derivH += self.imageAsArray()
deriv = Numeric.fabs(derivH*0.5)+Numeric.fabs(derivV*0.5)
return deriv.astype('B')
def secondDerivative(self):
sndDeriv = Numeric.array([ [-0.125, -0.125, -0.125,],
[-0.125, 1.0, -0.125,],
[-0.125, -0.125, -0.125,] ], 'f')
self.redraw(filter=sndDeriv)
deriv = Numeric.fabs(self.imageAsArray()).astype('B')
return deriv
def _ticks(self, lower, upper):
ideal = (upper-lower)/7.
log = _Numeric.log10(ideal)
power = _Numeric.floor(log)
fraction = log-power
factor = 1.
error = fraction
for f, lf in self._multiples:
e = _Numeric.fabs(fraction-lf)
if e < error:
error = e
factor = f
grid = factor * 10.**power
if power > 4 or power < -4:
format = '%+7.1e'
elif power >= 0:
digits = max(1, int(power))
format = '%' + `digits`+'.0f'
else:
digits = -int(power)
format = '%'+`digits+2`+'.'+`digits`+'f'
ticks = []
t = -grid*_Numeric.floor(-lower/grid)
while t <= upper:
ticks.append( (t, format % (t,)) )
t = t + grid
return ticks
def secondDerivative(self):
sndDeriv = Numeric.array([[
-0.125,
-0.125,
-0.125,
], [
-0.125,
1.0,
-0.125,
], [
-0.125,
-0.125,
-0.125,
]], 'f')
self.redraw(filter=sndDeriv)
deriv = Numeric.fabs(self.imageAsArray()).astype('B')
return deriv
def getGeomOpacity(self, geomName):
if self.atomPropToVertices.has_key(geomName):
func = self.atomPropToVertices[geomName]
geom = self.geoms[geomName]
atms = self.atoms[geomName]
col = func(geom, atms, 'opacities', propIndex = geomName)
else:
if geomName in self.atoms.keys():
col = map(lambda x, geomName=geomName: x.opacities[geomName],
self.atoms[geomName])
else:
return
if col is not None:
colarray = array(col, 'f')
diff = colarray - colarray[0]
maxi = maximum.reduce(fabs(diff.ravel()))
if maxi==0:
return colarray[0]
else:
return col
def getGeomColor(self, geomName):
# build a list of colors for a geometry from the atom's colors
if self.atomPropToVertices.has_key(geomName):
func = self.atomPropToVertices[geomName]
geom = self.geoms[geomName]
atms = self.atoms[geomName]
col = func(geom, atms, 'colors', propIndex=geomName)
else:
if geomName in self.atoms.keys():
col = map(lambda x, geomName=geomName: x.colors[geomName],
self.atoms[geomName])
else:
return
if col is not None:
colarray = array(col, 'f')
diff = colarray - colarray[0]
maxi = maximum.reduce(fabs(diff.ravel()))
if maxi==0:
return [colarray[0].tolist()]
else:
return col
