def plotBox(self, name, data, data_range=None):
box = Frame(self, border=2, relief=SUNKEN)
box.pack(side=TOP, fill=BOTH, expand=YES)
frame = Frame(box, background='grey')
frame.pack(side=TOP, fill=X, expand=NO)
Label(frame, text=string.capitalize(string.join(
string.split(name , '_'), ' ')),
background='grey').pack(side=LEFT)
if data_range is None:
min = Numeric.minimum.reduce(data[:,1])
max = Numeric.maximum.reduce(data[:,1])
min, max = plotRange(min, max)
else:
min, max = data_range
plot_objects = []
plot_data = data
time = plot_data[:,0]
jumps = Numeric.repeat(Numeric.arange(len(time)-1),
Numeric.less(time[1:], time[:-1]))+1
for i in self.master.restarts:
plot_objects.append(PolyLine([(self.time[i], min),
(self.time[i], max)],
color='black',
stipple='gray25'))
plot_objects.insert(0, PolyLine(plot_data, color = 'red'))
plot = PlotCanvas(box, 400, 100, zoom=1,
select=self.master._selectRange)
plot.pack(side=LEFT, fill=BOTH, expand=YES)
plot.draw(PlotGraphics(plot_objects),
'automatic', (min, max))
plot.bind('<Double-Button-1>', lambda event, d=plot_data:
externalPlot(d))
self.registerPlot(plot)
self.setSelection(plot)
def __init__(self, master, rb_projector):
PlotWindow.__init__(self, master, "Rigid-body motion projections")
plot_range = 0.
for i in range(6):
series = rb_projector[i][:, 1]
lower = Numeric.minimum.reduce(series)
upper = Numeric.maximum.reduce(series)
lower, upper = plotRange(lower, upper)
plot_range = max(plot_range, upper - lower)
for column, offset, type in [(0, 0, "Translation "),
(1, 3, "Rotation ")]:
for i in range(3):
data = rb_projector[i + offset]
box = Frame(self, border=2, relief=SUNKEN)
box.grid(row=i, column=column, sticky=N + W + E + S)
frame = Frame(box, background='grey')
frame.pack(side=TOP, fill=X, expand=NO)
Label(frame, text=type + ["X", "Y", "Z"][i],
background='grey').pack(side=LEFT)
minv = Numeric.minimum.reduce(data[:, 1])
maxv = Numeric.maximum.reduce(data[:, 1])
minv, maxv = plotRange(minv, maxv)
middle = 0.5 * (maxv + minv)
if maxv - minv < plot_range:
minv = middle - 0.5 * plot_range
maxv = middle + 0.5 * plot_range
plot_objects = [PolyLine(data, color='red')]
plot = PlotCanvas(box,
400,
100,
zoom=1,
select=self.master._selectRange)
plot.pack(side=LEFT, fill=BOTH, expand=YES)
plot.draw(PlotGraphics(plot_objects), 'automatic',
(minv, maxv))
plot.bind('<Double-Button-1>',
lambda event, d=data: externalPlot(d))
self.registerPlot(plot)
self.setSelection(plot)
def __init__(self, master, rb_projector):
PlotWindow.__init__(self, master, "Rigid-body motion projections")
plot_range = 0.
for i in range(6):
series = rb_projector[i][:, 1]
lower = Numeric.minimum.reduce(series)
upper = Numeric.maximum.reduce(series)
lower, upper = plotRange(lower, upper)
plot_range = max(plot_range, upper-lower)
for column, offset, type in [(0, 0, "Translation "),
(1, 3, "Rotation ")]:
for i in range(3):
data = rb_projector[i+offset]
box = Frame(self, border=2, relief=SUNKEN)
box.grid(row=i, column=column, sticky=N+W+E+S)
frame = Frame(box, background='grey')
frame.pack(side=TOP, fill=X, expand=NO)
Label(frame, text=type + ["X", "Y", "Z"][i],
background='grey').pack(side=LEFT)
minv = Numeric.minimum.reduce(data[:,1])
maxv = Numeric.maximum.reduce(data[:,1])
minv, maxv = plotRange(minv, maxv)
middle = 0.5*(maxv+minv)
if maxv-minv < plot_range:
minv = middle-0.5*plot_range
maxv = middle+0.5*plot_range
plot_objects = [PolyLine(data, color = 'red')]
plot = PlotCanvas(box, 400, 100, zoom=1,
select=self.master._selectRange)
plot.pack(side=LEFT, fill=BOTH, expand=YES)
plot.draw(PlotGraphics(plot_objects), 'automatic',
(minv, maxv))
plot.bind('<Double-Button-1>', lambda event, d=data:
externalPlot(d))
self.registerPlot(plot)
self.setSelection(plot)
def plotBox(self, name, data, data_range=None):
box = Frame(self, border=2, relief=SUNKEN)
box.pack(side=TOP, fill=BOTH, expand=YES)
frame = Frame(box, background='grey')
frame.pack(side=TOP, fill=X, expand=NO)
Label(frame,
text=string.capitalize(string.join(string.split(name, '_'),
' ')),
background='grey').pack(side=LEFT)
if data_range is None:
min = Numeric.minimum.reduce(data[:, 1])
max = Numeric.maximum.reduce(data[:, 1])
min, max = plotRange(min, max)
else:
min, max = data_range
plot_objects = []
plot_data = data
time = plot_data[:, 0]
jumps = Numeric.repeat(Numeric.arange(len(time) - 1),
Numeric.less(time[1:], time[:-1])) + 1
for i in self.master.restarts:
plot_objects.append(
PolyLine([(self.time[i], min), (self.time[i], max)],
color='black',
stipple='gray25'))
plot_objects.insert(0, PolyLine(plot_data, color='red'))
plot = PlotCanvas(box,
400,
100,
zoom=1,
select=self.master._selectRange)
plot.pack(side=LEFT, fill=BOTH, expand=YES)
plot.draw(PlotGraphics(plot_objects), 'automatic', (min, max))
plot.bind('<Double-Button-1>',
lambda event, d=plot_data: externalPlot(d))
self.registerPlot(plot)
self.setSelection(plot)
def __init__(self, master, mode_projector, indices):
from Scientific.Statistics import mean, standardDeviation
title = "Normal mode projections (Temperature: %5.1f K)" \
% mode_projector.temperature
PlotWindow.__init__(self, master, title)
self.mode_projector = mode_projector
plot_range = 0.
for i in indices:
series = mode_projector[i][:, 1]
average = mean(series)
deviation = standardDeviation(series)
lower = Numeric.minimum.reduce(series)
lower = min(lower, average-deviation)
upper = Numeric.maximum.reduce(series)
upper = max(upper, average+deviation)
lower, upper = plotRange(lower, upper)
plot_range = max(plot_range, upper-lower)
nmodes = mode_projector.numberOfModes()
for i in range(len(indices)):
if indices[i] < 0:
indices[i] = nmodes+indices[i]
next_indices = []
step = indices[1] - indices[0]
i = indices[-1]
while len(next_indices) < 4:
i = i + step
if i >= nmodes:
break
next_indices.append(i)
previous_indices = []
i = indices[0]
while len(previous_indices) < 4:
i = i - step
if i < 6:
break
previous_indices.insert(0, i)
if next_indices or previous_indices:
frame = Frame(self)
frame.pack(side=BOTTOM, fill=X, expand=YES)
if previous_indices:
Button(frame, text="Previous",
command=lambda s=self, pi=previous_indices:
s.modeProjection(pi)).pack(side=LEFT)
if next_indices:
Button(frame, text="Next",
command=lambda s=self, ni=next_indices:
s.modeProjection(ni)).pack(side=RIGHT)
for i in range(len(indices)):
number = indices[i]
data = mode_projector[number]
fluctuation = self.mode_projector.amplitude(number)
average = mean(data[:, 1])
deviation = standardDeviation(data[:, 1])
box = Frame(self, border=2, relief=SUNKEN)
box.pack(side=TOP, fill=BOTH, expand=YES)
frame = Frame(box, background='grey')
frame.pack(side=TOP, fill=X, expand=NO)
Label(frame, text="Mode %d" % number,
background='grey').pack(side=LEFT)
Button(frame, text="Animation", background='grey',
command=lambda s=self, n=number:
s.animateMode(n, 1.)).pack(side=RIGHT)
Button(frame, text="View", background='grey',
command=lambda s=self, n=number:
s.viewMode(n)).pack(side=RIGHT)
minv = Numeric.minimum.reduce(data[:,1])
maxv = Numeric.maximum.reduce(data[:,1])
minv, maxv = plotRange(minv, maxv)
middle = 0.5*(maxv+minv)
if maxv-minv < plot_range:
minv = middle-0.5*plot_range
maxv = middle+0.5*plot_range
plot_objects = [PolyLine([(data[1, 0], average-fluctuation),
(data[1, 0], average+fluctuation)],
color='blue', width=3),
PolyLine([(data[-1, 0], average-deviation),
(data[-1, 0], average+deviation)],
color='green', width=3)]
plot_objects.insert(0, PolyLine(data, color = 'red'))
plot = PlotCanvas(box, 400, 100, zoom=1,
select=self.master._selectRange)
plot.pack(side=LEFT, fill=BOTH, expand=YES)
plot.draw(PlotGraphics(plot_objects), 'automatic', (minv, maxv))
plot.bind('<Double-Button-1>', lambda event, d=data:
externalPlot(d))
self.registerPlot(plot)
self.setSelection(plot)
def __init__(self, master, mode_projector, indices):
from Scientific.Statistics import mean, standardDeviation
title = "Normal mode projections (Temperature: %5.1f K)" \
% mode_projector.temperature
PlotWindow.__init__(self, master, title)
self.mode_projector = mode_projector
plot_range = 0.
for i in indices:
series = mode_projector[i][:, 1]
average = mean(series)
deviation = standardDeviation(series)
lower = Numeric.minimum.reduce(series)
lower = min(lower, average - deviation)
upper = Numeric.maximum.reduce(series)
upper = max(upper, average + deviation)
lower, upper = plotRange(lower, upper)
plot_range = max(plot_range, upper - lower)
nmodes = mode_projector.numberOfModes()
for i in range(len(indices)):
if indices[i] < 0:
indices[i] = nmodes + indices[i]
next_indices = []
step = indices[1] - indices[0]
i = indices[-1]
while len(next_indices) < 4:
i = i + step
if i >= nmodes:
break
next_indices.append(i)
previous_indices = []
i = indices[0]
while len(previous_indices) < 4:
i = i - step
if i < 6:
break
previous_indices.insert(0, i)
if next_indices or previous_indices:
frame = Frame(self)
frame.pack(side=BOTTOM, fill=X, expand=YES)
if previous_indices:
Button(frame,
text="Previous",
command=lambda s=self, pi=previous_indices: s.
modeProjection(pi)).pack(side=LEFT)
if next_indices:
Button(frame,
text="Next",
command=lambda s=self, ni=next_indices: s.
modeProjection(ni)).pack(side=RIGHT)
for i in range(len(indices)):
number = indices[i]
data = mode_projector[number]
fluctuation = self.mode_projector.amplitude(number)
average = mean(data[:, 1])
deviation = standardDeviation(data[:, 1])
box = Frame(self, border=2, relief=SUNKEN)
box.pack(side=TOP, fill=BOTH, expand=YES)
frame = Frame(box, background='grey')
frame.pack(side=TOP, fill=X, expand=NO)
Label(frame, text="Mode %d" % number,
background='grey').pack(side=LEFT)
Button(frame,
text="Animation",
background='grey',
command=lambda s=self, n=number: s.animateMode(n, 1.)).pack(
side=RIGHT)
Button(frame,
text="View",
background='grey',
command=lambda s=self, n=number: s.viewMode(n)).pack(
side=RIGHT)
minv = Numeric.minimum.reduce(data[:, 1])
maxv = Numeric.maximum.reduce(data[:, 1])
minv, maxv = plotRange(minv, maxv)
middle = 0.5 * (maxv + minv)
if maxv - minv < plot_range:
minv = middle - 0.5 * plot_range
maxv = middle + 0.5 * plot_range
plot_objects = [
PolyLine([(data[1, 0], average - fluctuation),
(data[1, 0], average + fluctuation)],
color='blue',
width=3),
PolyLine([(data[-1, 0], average - deviation),
(data[-1, 0], average + deviation)],
color='green',
width=3)
]
plot_objects.insert(0, PolyLine(data, color='red'))
plot = PlotCanvas(box,
400,
100,
zoom=1,
select=self.master._selectRange)
plot.pack(side=LEFT, fill=BOTH, expand=YES)
plot.draw(PlotGraphics(plot_objects), 'automatic', (minv, maxv))
plot.bind('<Double-Button-1>',
lambda event, d=data: externalPlot(d))
self.registerPlot(plot)
self.setSelection(plot)
