def RandomNonoverlappingListOfAtoms(L,
neighborLocator,
minDist=1.0,
nAtoms=10,
temperature=1.0,
maxTriesQuiet=1000,
mass=1.0,
radius=0.5,
color=vi.color.green):
"""
Put atoms of given radius in box (0,L)^dim, at random except without
overlaps less than minDist.
"""
pos = RandomArray.uniform(radius, L - radius, (nAtoms, dim))
vel = numpy.zeros((nAtoms, dim))
atoms = ListOfAtoms(mass, radius, color, pos, vel)
# Enforce no overlaps
# neighborLocator.HalfNeighbors returns (n1, n2, r, dr)
# with n1 > n2: remove n1 atoms
overlappingAtoms = neighborLocator.HalfNeighbors(atoms, minDist)[0]
nPairOverlap = len(overlappingAtoms)
tries = 0
while nPairOverlap > 0:
tries += 1
if tries % maxTriesQuiet == 0:
print "After ", tries, "attempts, still have ", nPairOverlap, \
"overlapping pairs of atoms: may need fewer atoms or larger box"
posNew = [pos for n, pos in enumerate(atoms.positions) \
if n not in overlappingAtoms]
nOverlap = nAtoms - len(posNew)
newAtomPositions = RandomArray.uniform(radius, L - radius,
(nOverlap, dim))
posNew.extend(newAtomPositions)
atoms.positions = numpy.array(posNew)
overlappingAtoms = neighborLocator.HalfNeighbors(atoms, minDist)[0]
nPairOverlap = len(overlappingAtoms)
ThermalizingTransformer(atoms, temperature)
return atoms
def RandomListOfAtoms(L,
nAtoms=1000,
temperature=1.0,
mass=1.0,
radius=0.5,
color=vi.color.green):
"""
Put atoms of radius r in box (0,L)^dim
"""
positions = RandomArray.uniform(radius, L - radius, (nAtoms, dim))
velocities = numpy.zeros((nAtoms, dim))
atoms = ListOfAtoms(mass, radius, color, positions, velocities)
ThermalizingTransformer(atoms, temperature)
return atoms
def __init__(self, *args):
apply(QWidget.__init__, (self,) + args)
# make a QwtPlot widget
self.plot = QwtPlot('A PyQwt and MinPack Demonstration', self)
# initialize the noisy data
scatter = 0.05
x = arrayrange(-5.0, 5.0, 0.1)
y = RandomArray.uniform(1.0-scatter, 1.0+scatter, shape(x)) * \
function([1.0, 1.0, -2.0, 2.0], x)
# fit from a reasonable initial guess
guess = asarray([0.5, 1.5, -1.0, 3.0])
yGuess = function(guess, x)
solution = leastsq(function, guess, args=(x, y))
yFit = function(solution[0], x)
print solution
# insert a few curves
c1 = self.plot.insertCurve('data')
c2 = self.plot.insertCurve('guess')
c3 = self.plot.insertCurve('fit')
# set curve styles
self.plot.setCurvePen(c1, QPen(Qt.black))
self.plot.setCurvePen(c2, QPen(Qt.red))
self.plot.setCurvePen(c3, QPen(Qt.green))
# copy the data
self.plot.setCurveData(c1, x, y)
self.plot.setCurveData(c2, x, yGuess)
self.plot.setCurveData(c3, x, yFit)
# set axis titles
self.plot.setAxisTitle(QwtPlot.xBottom, 'x -->')
self.plot.setAxisTitle(QwtPlot.yLeft, 'y -->')
self.plot.enableLegend(1)
self.plot.replot()
x = []
y = []
for l in yprof.readlines():
l = l.split()
x.append(float(l[0]))
y.append(float(l[1]))
i = 0
while i * delta[1] <= x[0]:
vartopg[0, i, :] = y[0]
i = i + 1
if i == numx:
break
for d in range(0, len(x) - 1):
slope = (y[d + 1] - y[d]) / (x[d + 1] - x[d])
if i == numx:
break
while i * delta[1] <= x[d + 1]:
vartopg[0, i, :] = y[d] + (i * delta[1] - x[d]) * slope
i = i + 1
if i == numx:
break
for i in range(i, numx):
vartopg[0, i, :] = y[d]
else:
vartopg[0, :, :] = 0.0
vartopg[0, :, :] = vartopg[0, :, :] + RandomArray.uniform(0.0, amplitude, (numy, numx)).astype(Numeric.Float32)
cffile.close()
def DrawTest(self, event=None):
wx.GetApp().Yield()
import random
import RandomArray
Range = (-10, 10)
colors = self.colors
#self.BindAllMouseEvents()
Canvas = self.components.float
Canvas.ClearAll()
Canvas.SetProjectionFun(None)
## Random tests of everything:
# Rectangles
for i in range(3):
x, y = (random.uniform(Range[0], Range[1]),
random.uniform(Range[0], Range[1]))
lw = random.randint(1, 5)
cf = random.randint(0, len(colors) - 1)
h = random.randint(1, 5)
w = random.randint(1, 5)
Canvas.AddRectangle(x, y, h, w, LineWidth=lw, FillColor=colors[cf])
# Ellipses
for i in range(3):
x, y = (random.uniform(Range[0], Range[1]),
random.uniform(Range[0], Range[1]))
lw = random.randint(1, 5)
cf = random.randint(0, len(colors) - 1)
h = random.randint(1, 5)
w = random.randint(1, 5)
Canvas.AddEllipse(x, y, h, w, LineWidth=lw, FillColor=colors[cf])
## # Dots -- Does anyone need this?
## for i in range(5):
## x,y = (random.uniform(Range[0],Range[1]),random.uniform(Range[0],Range[1]))
## D = random.randint(1,50)
## lw = random.randint(1,5)
## cf = random.randint(0,len(colors)-1)
## cl = random.randint(0,len(colors)-1)
## Canvas.AddDot(x,y,D,LineWidth = lw,LineColor = colors[cl],FillColor = colors[cf])
# Circles
for i in range(5):
x, y = (random.uniform(Range[0], Range[1]),
random.uniform(Range[0], Range[1]))
D = random.randint(1, 5)
lw = random.randint(1, 5)
cf = random.randint(0, len(colors) - 1)
cl = random.randint(0, len(colors) - 1)
Canvas.AddCircle(x,
y,
D,
LineWidth=lw,
LineColor=colors[cl],
FillColor=colors[cf])
Canvas.AddText("Circle # %i" % (i),
x,
y,
Size=12,
BackgroundColor=None,
Position="cc")
# Lines
for i in range(5):
points = []
for j in range(random.randint(2, 10)):
point = (random.randint(Range[0], Range[1]),
random.randint(Range[0], Range[1]))
points.append(point)
lw = random.randint(1, 10)
cf = random.randint(0, len(colors) - 1)
cl = random.randint(0, len(colors) - 1)
Canvas.AddLine(points, LineWidth=lw, LineColor=colors[cl])
# Polygons
for i in range(3):
points = []
for j in range(random.randint(2, 6)):
point = (random.uniform(Range[0], Range[1]),
random.uniform(Range[0], Range[1]))
points.append(point)
lw = random.randint(1, 6)
cf = random.randint(0, len(colors) - 1)
cl = random.randint(0, len(colors) - 1)
Canvas.AddPolygon(points,
LineWidth=lw,
LineColor=colors[cl],
FillColor=colors[cf],
FillStyle='Solid')
## Pointset
for i in range(4):
points = []
points = RandomArray.uniform(Range[0], Range[1], (100, 2))
cf = random.randint(0, len(colors) - 1)
D = random.randint(1, 4)
Canvas.AddPointSet(points, Color=colors[cf], Diameter=D)
# Text
String = "Unscaled text"
for i in range(3):
ts = random.randint(10, 40)
cf = random.randint(0, len(colors) - 1)
x, y = (random.uniform(Range[0], Range[1]),
random.uniform(Range[0], Range[1]))
Canvas.AddText(String,
x,
y,
Size=ts,
Color=colors[cf],
Position="cc")
# Scaled Text
String = "Scaled text"
for i in range(3):
ts = random.random() * 3 + 0.2
cf = random.randint(0, len(colors) - 1)
x, y = (random.uniform(Range[0], Range[1]),
random.uniform(Range[0], Range[1]))
Canvas.AddScaledText(String,
x,
y,
Size=ts,
Color=colors[cf],
Position="cc")
Canvas.ZoomToBB()
