Plotting in spherical coordinates given the radial distance? - python

For a homework problem we are asked to
Write a program that computes all the eigenvalues of the matrix A, using the Rayleigh Quotient iteration to find each eigenvalue.
i. Report the initial guess you used for each eigenvalue. Plot the error at the n iteration against the error at the n+1 iteration for each eigenvalue (in log log).
ii. Compute the Rayleigh quotient for x sampled on a discretization of the unit sphere (use spherical coordinates). Plot the result, for example with mesh (Θ,ϕ,r(Θ,ϕ)). Explain the number and location of the critical points.
I have completed the first part of the problem, but I am not sure I understand how to complete the second. After some research I have found various ways (Here and Here) to plot spherical coordinates in Python which has provided me some clues. Borrowing from those links and a few other sources I have
# The matrix for completness
A = np.matrix([[4,3,4], [3,1,3], [4,3,4]])
A = scipy.linalg.hessenberg(A)
num_points = 50
theta, phi = np.linspace(0, 2 * np.pi, num_points), np.linspace(0, np.pi, num_points)
x = np.sin(phi) * np.cos(theta)
y = np.sin(phi) * np.sin(theta)
z = np.cos(phi)
xyz = np.stack((x, y, z), axis=1)
rqs = np.array([np.dot(x, np.dot(A, np.conj(x).T)).item(0) for _,x in enumerate(xyz)])
In the first chunk of code (Θ,ϕ) are created and translated to Cartesian coordinates, effectively a discritization of the unit circle in the R^3. This allows me then to create the x vectors (xyz above) used to calculate the Rayleigh Quotients (rqs above) at each discritization point, the r(Θ,ϕ) of the spherical coordinates.
Though, now that I have the radial distance I am not sure how to again recreate x, y, z properly for a meshgrid to plot as a surface. This might be out of the realm of StackOverflow and more for Math.Stack, but I am also not sure if this plot should end up being a "warped plane" or a "warped sphere".
In this SO answer, linked above too, I think the answer lies though. In the chunk of code
theta, phi = np.linspace(0, 2 * np.pi, 40), np.linspace(0, np.pi, 40)
THETA, PHI = np.meshgrid(theta, phi)
R = np.cos(PHI**2)
X = R * np.sin(PHI) * np.cos(THETA)
Y = R * np.sin(PHI) * np.sin(THETA)
Z = R * np.cos(PHI)
R here I assume refers to the radial distance, though, this R is in a mesh when x, y, z are calculated. I have tried to reshape rqs above to the same dimension, but the values of the rqs do not line up with the subsequent grid and as a result produces obviously wrong plots.
I almost need a way to tie in the creation of the meshgrid with the calculation of the x. But the calculation seems to complex to be applied directly to the meshgrid..
How can I produce the spherical coordinates based plot given the radial distances?
EDIT: After some more searching I found this MatLab code which produces the desired plot, though I would still like to reproduce this in Python. I would like to say this MatLab code provides an overview of how to implement this in Python, but it seems to be some very old and esoteric code. Here is the plot(s) it produces

I don't know about the math or the Rayleigh Quotient but from what I gather, you want to calculate rqs as a function of the points of the unit sphere. For that, I would recommend to use meshgrid to generate value pairs for all Θ and ϕ. Then, since your matrix formula is defined for cartesian rather than spherical coordinates, I would convert my mesh to that and insert into the formula.
Then, finally, the result can be illustrated, using plot_surface on the unit sphere, where the (scaled) RQS data are used for facecolor:
import numpy as np
import scipy.linalg
from mpl_toolkits.mplot3d import Axes3D
from matplotlib import cm
import matplotlib.pyplot as plt
# The matrix for completness
A = np.matrix([[4,3,4], [3,1,3], [4,3,4]])
A = scipy.linalg.hessenberg(A)
num_points = 25
theta = np.linspace(0, 2 * np.pi, num_points)
phi = np.linspace(0, np.pi, num_points)
THETA, PHI = np.meshgrid(theta, phi)
X = np.sin(PHI) * np.cos(THETA)
Y = np.sin(PHI) * np.sin(THETA)
Z = np.cos(PHI)
# Calculate RQS for points on unit sphere:
RQS = np.empty(PHI.shape)
for theta_pos, phi_pos in itertools.product(range(num_points), range(num_points)):
x = np.array([X[theta_pos, phi_pos],
Y[theta_pos, phi_pos],
Z[theta_pos, phi_pos]])
RQS[theta_pos, phi_pos] = np.dot(x, np.dot(A, np.conj(x).T))
# normalize in range 0..1
maxRQS = abs(RQS).max()
N = (RQS+maxRQS)/(2*maxRQS)
fig = plt.figure()
ax = fig.gca(projection='3d')
surf = ax.plot_surface(
X, Y, Z, rstride=1, cstride=1,
facecolors=cm.jet(N),
linewidth=0, antialiased=False, shade=False)
plt.show()
This gives the following result, which seems to agree with theMatlab contours plot in the OP.
Note that there may be better ways (vectorized) to convert the X, Y, and Z meshes to vectors, but the main execution time seems to be in the plottting anyway, so I won't spend the time trying to figure out exactly how.

Related

More efficient method to convert XYZ coords into Spherical Coords

I have a script in Blender for plotting data points either in plane or spherical projection. However, the current method I have for converting my X,Y,Z coordinate for each vertex to spherical format is quite slow. Maybe some of you know of a more efficient method.
Essentially I have a (#verts,3) array of XYZ coordinates. Then I apply the following function over it.
def deg2rads(deg):
return deg*pi/180
def spherical(row):
x,y,z = [deg2rads(i) for i in row]
new_x = cos(y)*cos(x)
new_y = cos(y)*sin(x)
new_z = sin(y)
return new_x,new_y,new_z
polar_verts = np.apply_along_axis(spherical,1,polar_verts)
I believe apply_along_axis is not vectorized like other numpy operations. So maybe someone knows a better method? Now that I'm looking at it I think I can just vector multiply my verts to convert to rads. So that might shave a couple miliseconds off.
Not sure if that makes your code faster. Basically you apply the function not to each coordinate-vector, but individually for x, y and z (hopefully vectorized) and afterwards stack them together.
import numpy as np
def spherical(spherical_coordinates):
phi = spherical_coordinates[:, 0] * np.pi / 180
theta = spherical_coordinates[:, 1] * np.pi / 180
x = np.cos(phi) * np.cos(theta)
y = np.sin(phi) * np.cos(theta)
z = np.sin(theta)
return np.column_stack([x, y, z])
spherical(polar_verts)
Assuming polar_verts has shape (#verts, 3).
But #DmitriChubarov is right: You're converting from spherical to cartesian coordinates, not the other way round. I would suggest to rename the function: spherical --> spherical_to_cartesian.

Interpolating non-uniformly distributed points on a 3D sphere

I have several points on the unit sphere that are distributed according to the algorithm described in https://www.cmu.edu/biolphys/deserno/pdf/sphere_equi.pdf (and implemented in the code below). On each of these points, I have a value that in my particular case represents 1 minus a small error. The errors are in [0, 0.1] if this is important, so my values are in [0.9, 1].
Sadly, computing the errors is a costly process and I cannot do this for as many points as I want. Still, I want my plots to look like I am plotting something "continuous".
So I want to fit an interpolation function to my data, to be able to sample as many points as I want.
After a little bit of research I found scipy.interpolate.SmoothSphereBivariateSpline which seems to do exactly what I want. But I cannot make it work properly.
Question: what can I use to interpolate (spline, linear interpolation, anything would be fine for the moment) my data on the unit sphere? An answer can be either "you misused scipy.interpolation, here is the correct way to do this" or "this other function is better suited to your problem".
Sample code that should be executable with numpy and scipy installed:
import typing as ty
import numpy
import scipy.interpolate
def get_equidistant_points(N: int) -> ty.List[numpy.ndarray]:
"""Generate approximately n points evenly distributed accros the 3-d sphere.
This function tries to find approximately n points (might be a little less
or more) that are evenly distributed accros the 3-dimensional unit sphere.
The algorithm used is described in
https://www.cmu.edu/biolphys/deserno/pdf/sphere_equi.pdf.
"""
# Unit sphere
r = 1
points: ty.List[numpy.ndarray] = list()
a = 4 * numpy.pi * r ** 2 / N
d = numpy.sqrt(a)
m_v = int(numpy.round(numpy.pi / d))
d_v = numpy.pi / m_v
d_phi = a / d_v
for m in range(m_v):
v = numpy.pi * (m + 0.5) / m_v
m_phi = int(numpy.round(2 * numpy.pi * numpy.sin(v) / d_phi))
for n in range(m_phi):
phi = 2 * numpy.pi * n / m_phi
points.append(
numpy.array(
[
numpy.sin(v) * numpy.cos(phi),
numpy.sin(v) * numpy.sin(phi),
numpy.cos(v),
]
)
)
return points
def cartesian2spherical(x: float, y: float, z: float) -> numpy.ndarray:
r = numpy.linalg.norm([x, y, z])
theta = numpy.arccos(z / r)
phi = numpy.arctan2(y, x)
return numpy.array([r, theta, phi])
n = 100
points = get_equidistant_points(n)
# Random here, but costly in real life.
errors = numpy.random.rand(len(points)) / 10
# Change everything to spherical to use the interpolator from scipy.
ideal_spherical_points = numpy.array([cartesian2spherical(*point) for point in points])
r_interp = 1 - errors
theta_interp = ideal_spherical_points[:, 1]
phi_interp = ideal_spherical_points[:, 2]
# Change phi coordinate from [-pi, pi] to [0, 2pi] to please scipy.
phi_interp[phi_interp < 0] += 2 * numpy.pi
# Create the interpolator.
interpolator = scipy.interpolate.SmoothSphereBivariateSpline(
theta_interp, phi_interp, r_interp
)
# Creating the finer theta and phi values for the final plot
theta = numpy.linspace(0, numpy.pi, 100, endpoint=True)
phi = numpy.linspace(0, numpy.pi * 2, 100, endpoint=True)
# Creating the coordinate grid for the unit sphere.
X = numpy.outer(numpy.sin(theta), numpy.cos(phi))
Y = numpy.outer(numpy.sin(theta), numpy.sin(phi))
Z = numpy.outer(numpy.cos(theta), numpy.ones(100))
thetas, phis = numpy.meshgrid(theta, phi)
heatmap = interpolator(thetas, phis)
Issue with the code above:
With the code as-is, I have a
ValueError: The required storage space exceeds the available storage space: nxest or nyest too small, or s too small. The weighted least-squares spline corresponds to the current set of knots.
that is raised when initialising the interpolator instance.
The issue above seems to say that I should change the value of s that is one on the parameters of scipy.interpolate.SmoothSphereBivariateSpline. I tested different values of s ranging from 0.0001 to 100000, the code above always raise, either the exception described above or:
ValueError: Error code returned by bispev: 10
Edit: I am including my findings here. They can't really be considered as a solution, that is why I am editing and not posting as an answer.
With more research I found this question Using Radial Basis Functions to Interpolate a Function on a Sphere. The author has exactly the same problem as me and use a different interpolator: scipy.interpolate.Rbf. I changed the above code by replacing the interpolator and plotting:
# Create the interpolator.
interpolator = scipy.interpolate.Rbf(theta_interp, phi_interp, r_interp)
# Creating the finer theta and phi values for the final plot
plot_points = 100
theta = numpy.linspace(0, numpy.pi, plot_points, endpoint=True)
phi = numpy.linspace(0, numpy.pi * 2, plot_points, endpoint=True)
# Creating the coordinate grid for the unit sphere.
X = numpy.outer(numpy.sin(theta), numpy.cos(phi))
Y = numpy.outer(numpy.sin(theta), numpy.sin(phi))
Z = numpy.outer(numpy.cos(theta), numpy.ones(plot_points))
thetas, phis = numpy.meshgrid(theta, phi)
heatmap = interpolator(thetas, phis)
import matplotlib as mpl
import matplotlib.pyplot as plt
from matplotlib import cm
colormap = cm.inferno
normaliser = mpl.colors.Normalize(vmin=numpy.min(heatmap), vmax=1)
scalar_mappable = cm.ScalarMappable(cmap=colormap, norm=normaliser)
scalar_mappable.set_array([])
fig = plt.figure()
ax = fig.add_subplot(111, projection="3d")
ax.plot_surface(
X,
Y,
Z,
facecolors=colormap(normaliser(heatmap)),
alpha=0.7,
cmap=colormap,
)
plt.colorbar(scalar_mappable)
plt.show()
This code runs smoothly and gives the following result:
The interpolation seems OK except on one line that is discontinuous, just like in the question that led me to this class. One of the answer give the idea of using a different distance, more adapted the the spherical coordinates: the Haversine distance.
def haversine(x1, x2):
theta1, phi1 = x1
theta2, phi2 = x2
return 2 * numpy.arcsin(
numpy.sqrt(
numpy.sin((theta2 - theta1) / 2) ** 2
+ numpy.cos(theta1) * numpy.cos(theta2) * numpy.sin((phi2 - phi1) / 2) ** 2
)
)
# Create the interpolator.
interpolator = scipy.interpolate.Rbf(theta_interp, phi_interp, r_interp, norm=haversine)
which, when executed, gives a warning:
LinAlgWarning: Ill-conditioned matrix (rcond=1.33262e-19): result may not be accurate.
self.nodes = linalg.solve(self.A, self.di)
and a result that is not at all the one expected: the interpolated function have values that may go up to -1 which is clearly wrong.
You can use Cartesian coordinate instead of Spherical coordinate.
The default norm parameter ('euclidean') used by Rbf is sufficient
# interpolation
x, y, z = numpy.array(points).T
interpolator = scipy.interpolate.Rbf(x, y, z, r_interp)
# predict
heatmap = interpolator(X, Y, Z)
Here the result:
ax.plot_surface(
X, Y, Z,
rstride=1, cstride=1,
# or rcount=50, ccount=50,
facecolors=colormap(normaliser(heatmap)),
cmap=colormap,
alpha=0.7, shade=False
)
ax.set_xlabel('x axis')
ax.set_ylabel('y axis')
ax.set_zlabel('z axis')
You can also use a cosine distance if you want (norm parameter):
def cosine(XA, XB):
if XA.ndim == 1:
XA = numpy.expand_dims(XA, axis=0)
if XB.ndim == 1:
XB = numpy.expand_dims(XB, axis=0)
return scipy.spatial.distance.cosine(XA, XB)
In order to better see the differences,
I stacked the two images, substracted them and inverted the layer.

Length of a parametric curve (integral of differential of the curve)

I am trying to learn differential geometry and sympy for the first time. Using sympy , I am able to define expressions for parametric curve and find velocities. I am trying to compute the length of the curve as per the below definition, but unable to figure out, how to do this with sympy.
Can someone please provide pointers on how to compute the curve length.
Below is the current code I have (using sympy & matplotlib).
# Expression of Parametric Curve
t = sympy.symbols('t')
x_expr = sympy.cos(t)
y_expr = sympy.sin(t)
f_x = sympy.lambdify(t, x_expr, 'numpy')
f_y = sympy.lambdify(t, y_expr, 'numpy')
# Differential of Parametric Curve
diff_x = sympy.lambdify(t, sympy.diff(x_expr, t), 'numpy')
diff_y = sympy.lambdify(t, sympy.diff(y_expr, t), 'numpy')
t_values = np.linspace(0, 2 * np.pi, 80, endpoint=True)
X = f_x(t_values)
Y = f_y(t_values)
# Plot the curve
clear_figure()
ax = create_subplot()
ax.set_xlim(-1.5, 1.5)
ax.set_ylim(-1.5, 1.5)
ax.scatter(X, Y, s=4)
plt_canvas.draw()
# Plot the velocities
t1_values = np.linspace(0, 2 * np.pi, 9, endpoint=True)
for t1 in t1_values:
ax.arrow(f_x(t1), f_y(t1), diff_x(t1), diff_y(t1), head_width=0.02, head_length=0.02, ec='red', linewidth=0.1)
plt_canvas.draw()
From geometry you can define a parametric curve and it can tell you the length of the same. Is this what you were expecting:
>>> Curve((cos(t), sin(t)), (t, 0, 2*pi)).length
2*pi
SymPy does not yet allow 3-D curves but you can do this in general by defining the point parametrically, then integrating over the range of interest.
from sympy import Tuple
from sympy.abc import t
x=Tuple(cos(t),sin(t),3*t)
ss = sum([i.diff(t)**2 for i in x])
>>> integrate(sqrt(ss), (t,0,2))
2*sqrt(10)*pi

How can I create a Circle with a small notch at bottom in Matplotlib?

I am trying to create a circle on co-ordinate plane and fill the pixels in it with conditional colors. However, the circle also need to show a small triangular notch at the bottom from the center. Something like the attached picture.
I have used the matplotlib's patches class to create acircle and tried different values in attributes but of no help. I googled enough but I couldn't find it.
circle = matplotlib.patches.Circle((0,0),150,facecolor='lightgrey')
ax.add_patch(circle)
Sample
Can someone please help me or provide me a hint or direct me to right library which can do this.
Your problem looks like 2D vector graphics which in this case you should look for SVG
if it is a CAD problem then you can check some CAD libraries
- Python module for parametric CAD
I think CAD approach is much better for engineering operations which you can find https://www.freecadweb.org/wiki/Part_Slice and https://www.freecadweb.org/wiki/Part_SliceApart#Scripting
or for SVG approach found something: https://inkscape.org/~Moini/%E2%98%85multi-bool-extension-cut-difference-division
If you have to do that in mathplotlib then you can export/import vector graphics into plots
I tried to build the proposed shape using parametric equations.
There are some approximations, but if you get the exact geometry equations you could refine this to a better version.
In fact, the key is to define the correct equations ... the ideal case would be to ensure continuity.
This example has some caveats: approximations when joining the 2 circles due to geometrical simplification when drawing the small circle from pi to 0. Small circle start/end angles should be chosen as the interception of the 2 full circles for a more accurate shape continuity. But again, in the end it depends entirely on your shape specification
Heavly inspired from Plot equation showing a circle
import math
import numpy as np
import matplotlib.pyplot as plt
def compute_x_values(r, theta):
return r * np.cos(theta)
def compute_y_values(r, theta):
return r * np.sin(theta)
def compute_circle(r, theta):
return compute_x_values(r, theta), compute_y_values(r, theta)
def build_big_circle(crop_angle, offset, radius):
start_angle = offset + crop_angle
end_angle = offset + (2 * np.pi) - crop_angle
theta = np.linspace(start_angle, end_angle, 250)
# compute main circle vals
x, y = compute_circle(radius, theta)
return x, y
r = 1
offset = - np.pi / 2
crop_angle = np.pi / 20
x, y = build_big_circle(crop_angle, offset, r)
# now the other form:
# its a half circle from pi to 0
theta2 = np.linspace(np.pi, 0, 100)
# according our code above, angular space left on the circle for the notch is
missing_angle = crop_angle * 2
# the length between to points on a circle is given by the formula
# length = 2 * r * sin(angle/2)
l = math.sin(missing_angle / 2) * r * 2
# we want half the length for a future radius
r2 = l / 2
# the above lines could be optimized to this
# r2 = math.sin(crop_angle) * r
# but I kept intermediate steps for sake of geometric clarity
# equation is same of a circle
x1, y1 = compute_circle(r2, theta2)
# change center on y axis to - big circle radius
y1 = y1 - r
# merge the 2
x_total = np.append(x, x1)
y_total = np.append(y, y1)
# create the global figure
fig, ax = plt.subplots(1)
ax.plot(x_total, y_total)
ax.fill(x_total, y_total, facecolor='lightgrey', linewidth=1)
ax.set_aspect(1)
plt.show()
fig, ax = plt.subplots(1)
ax.plot(x, y)
ax.plot(x1, y1)
ax.set_aspect(1)
plt.show()

python optimize.leastsq: fitting a circle to 3d set of points

I am trying to use circle fitting code for 3D data set. I have modified it for 3D points just adding z-coordinate where necessary. My modification works fine for one set of points and works bad for another. Please look at the code, if it has some errors.
import trig_items
import numpy as np
from trig_items import *
from numpy import *
from matplotlib import pyplot as p
from scipy import optimize
# Coordinates of the 3D points
##x = r_[36, 36, 19, 18, 33, 26]
##y = r_[14, 10, 28, 31, 18, 26]
##z = r_[0, 1, 2, 3, 4, 5]
x = r_[ 2144.18908574, 2144.26880854, 2144.05552972, 2143.90303742, 2143.62520676,
2143.43628579, 2143.14005775, 2142.79919654, 2142.51436023, 2142.11240866,
2141.68564346, 2141.29333828, 2140.92596405, 2140.3475612, 2139.90848046,
2139.24661021, 2138.67384709, 2138.03313547, 2137.40301734, 2137.40908256,
2137.06611224, 2136.50943781, 2136.0553113, 2135.50313189, 2135.07049922,
2134.62098139, 2134.10459535, 2133.50838433, 2130.6600465, 2130.03537342,
2130.04047644, 2128.83522468, 2127.79827542, 2126.43513385, 2125.36700593,
2124.00350543, 2122.68564431, 2121.20709478, 2119.79047011, 2118.38417647,
2116.90063343, 2115.52685778, 2113.82246629, 2112.21159431, 2110.63180117,
2109.00713198, 2108.94434529, 2106.82777156, 2100.62343757, 2098.5090226,
2096.28787738, 2093.91550703, 2091.66075061, 2089.15316429, 2086.69753869,
2084.3002414, 2081.87590579, 2079.19141866, 2076.5394574, 2073.89128676,
2071.18786213]
y = r_[ 725.74913818, 724.43874065, 723.15226506, 720.45950581, 717.77827954,
715.07048092, 712.39633862, 709.73267688, 707.06039438, 704.43405908,
701.80074596, 699.15371526, 696.5309022, 693.96109921, 691.35585501,
688.83496327, 686.32148661, 683.80286662, 681.30705568, 681.30530975,
679.66483676, 678.01922321, 676.32721779, 674.6667554, 672.9658024,
671.23686095, 669.52021535, 667.84999077, 659.19757984, 657.46179949,
657.45700508, 654.46901086, 651.38177517, 648.41739432, 645.32356976,
642.39034578, 639.42628453, 636.51107198, 633.57732055, 630.63825133,
627.75308356, 624.80162215, 622.01980232, 619.18814892, 616.37688894,
613.57400131, 613.61535723, 610.4724493, 600.98277781, 597.84782844,
594.75983001, 591.77946964, 588.74874068, 585.84525834, 582.92311166,
579.99564481, 577.06666417, 574.30782762, 571.54115037, 568.79760614,
566.08551098]
z = r_[ 339.77146775, 339.60021095, 339.47645894, 339.47130963, 339.37216218,
339.4126132, 339.67942046, 339.40917728, 339.39500353, 339.15041461,
339.38959195, 339.3358209, 339.47764895, 339.17854867, 339.14624071,
339.16403926, 339.02308811, 339.27011082, 338.97684183, 338.95087698,
338.97321177, 339.02175448, 339.02543922, 338.88725411, 339.06942374,
339.0557553, 339.04414618, 338.89234303, 338.95572249, 339.00880416,
339.00413073, 338.91080374, 338.98214758, 339.01135789, 338.96393537,
338.73446188, 338.62784913, 338.72443217, 338.74880562, 338.69090173,
338.50765186, 338.49056867, 338.57353355, 338.6196255, 338.43754399,
338.27218569, 338.10587265, 338.43880881, 338.28962141, 338.14338705,
338.25784154, 338.49792568, 338.15572139, 338.52967693, 338.4594245,
338.1511823, 338.03711207, 338.19144663, 338.22022045, 338.29032321,
337.8623197 ]
# coordinates of the barycenter
xm = mean(x)
ym = mean(y)
zm = mean(z)
### Basic usage of optimize.leastsq
def calc_R(xc, yc, zc):
""" calculate the distance of each 3D points from the center (xc, yc, zc) """
return sqrt((x - xc) ** 2 + (y - yc) ** 2 + (z - zc) ** 2)
def func(c):
""" calculate the algebraic distance between the 3D points and the mean circle centered at c=(xc, yc, zc) """
Ri = calc_R(*c)
return Ri - Ri.mean()
center_estimate = xm, ym, zm
center, ier = optimize.leastsq(func, center_estimate)
##print center
xc, yc, zc = center
Ri = calc_R(xc, yc, zc)
R = Ri.mean()
residu = sum((Ri - R)**2)
print 'R =', R
So, for the first set of x, y, z (commented in the code) it works well: the output is R = 39.0097846735. If I run the code with the second set of points (uncommented) the resulting radius is R = 108576.859834, which is almost straight line. I plotted the last one.
The blue points is a given data set, the red ones is the arc of the resulting radius R = 108576.859834. It is obvious that the given data set has much smaller radius than the result.
Here is another set of points.
It is clear that the least squares does not work correctly.
Please help me solving this issue.
UPDATE
Here is my solution:
### fit 3D arc into a set of 3D points ###
### output is the centre and the radius of the arc ###
def fitArc3d(arr, eps = 0.0001):
# Coordinates of the 3D points
x = numpy.array([arr[k][0] for k in range(len(arr))])
y = numpy.array([arr[k][4] for k in range(len(arr))])
z = numpy.array([arr[k][5] for k in range(len(arr))])
# coordinates of the barycenter
xm = mean(x)
ym = mean(y)
zm = mean(z)
### gradient descent minimisation method ###
pnts = [[x[k], y[k], z[k]] for k in range(len(x))]
meanP = Point(xm, ym, zm) # mean point
Ri = [Point(*meanP).distance(Point(*pnts[k])) for k in range(len(pnts))] # radii to the points
Rm = math.fsum(Ri) / len(Ri) # mean radius
dR = Rm + 10 # difference between mean radii
alpha = 0.1
c = meanP
cArr = []
while dR > eps:
cArr.append(c)
Jx = math.fsum([2 * (x[k] - c[0]) * (Ri[k] - Rm) / Ri[k] for k in range(len(Ri))])
Jy = math.fsum([2 * (y[k] - c[1]) * (Ri[k] - Rm) / Ri[k] for k in range(len(Ri))])
Jz = math.fsum([2 * (z[k] - c[2]) * (Ri[k] - Rm) / Ri[k] for k in range(len(Ri))])
gradJ = [Jx, Jy, Jz] # find gradient
c = [c[k] + alpha * gradJ[k] for k in range(len(c)) if len(c) == len(gradJ)] # find new centre point
Ri = [Point(*c).distance(Point(*pnts[k])) for k in range(len(pnts))] # calculate new radii
RmOld = Rm
Rm = math.fsum(Ri) / len(Ri) # calculate new mean radius
dR = abs(Rm - RmOld) # new difference between mean radii
return Point(*c), Rm
It is not very optimal code (I do not have time to fine tune it) but it works.
I guess the problem is the data and the corresponding algorithm. The least square method works fine if it produces a local parabolic minimum, such that a simple gradient method goes approximately direction minimum. Unfortunately, this is not necessarily the case for your data. You can check this by keeping some rough estimates for xc and yc fixed and plotting the sum of the squared residuals as a function of zc and R. I get a boomerang shaped minimum. Depending on your starting parameters you might end in one of the branches going away from the real minimum. Once in the valley this can be very flat such that you exceed the number of max iterations or get something that is accepted within the tolerance of the algorithm. As always, thinks are better the better your starting parameters. Unfortunately you have only a small arc of the circle, so that it is difficult to get better. I am not a specialist in Python, but I think that leastsq allows you to play with the Jacobian and Gradient Methods. Try to play with the tolerance as well.
In short: the code looks basically fine to me, but your data is pathological and you have to adapt the code to that kind of data.
There is a non-iterative solution in 2D from Karimäki, maybe you can adapt
this method to 3D. You can also look at this. Sure you will find more literature.
I just checked the data using a Simplex-Algorithm. The minimum is, as I said, not well behaved. See here some cuts of the residual function. Only in the xy-plane you get some reasonable behavior. The properties of the zr- and xr- plane make the finding process very difficult.
So in the beginning the simplex algorithm finds several almost stable solutions. You can see them as flat steps in the graph below (blue x, purple y, yellow z, green R). At the end the algorithm has to walk down the almost flat but very stretched out valley, resulting in the final conversion of z and R. Nevertheless, I expect many regions that look like a solution if the tolerance is insufficient. With the standard tolerance of 10^-5 the algoritm stopped after approx 350 iterations. I had to set it to 10^-10 to get this solution, i.e. [1899.32, 741.874, 298.696, 248.956], which seems quite ok.
Update
As mentioned earlier, the solution depends on the working precision and requested accuracy. So your hand made gradient method works probably better as these values are different compared to the build-in least square fit. Nevertheless, this is my version making a two step fit. First I fit a plane to the data. In a next step I fit a circle within this plane. Both steps use the least square method. This time it works, as each step avoids critically shaped minima. (Naturally, the plane fit runs into problems if the arc segment becomes small and the data lies virtually on a straight line. But this will happen for all algorithms)
from math import *
from matplotlib import pyplot as plt
from scipy import optimize
import numpy as np
from mpl_toolkits.mplot3d import Axes3D
import pprint as pp
dataTupel=zip(xs,ys,zs) #your data from above
# Fitting a plane first
# let the affine plane be defined by two vectors,
# the zero point P0 and the plane normal n0
# a point p is member of the plane if (p-p0).n0 = 0
def distanceToPlane(p0,n0,p):
return np.dot(np.array(n0),np.array(p)-np.array(p0))
def residualsPlane(parameters,dataPoint):
px,py,pz,theta,phi = parameters
nx,ny,nz =sin(theta)*cos(phi),sin(theta)*sin(phi),cos(theta)
distances = [distanceToPlane([px,py,pz],[nx,ny,nz],[x,y,z]) for x,y,z in dataPoint]
return distances
estimate = [1900, 700, 335,0,0] # px,py,pz and zeta, phi
#you may automize this by using the center of mass data
# note that the normal vector is given in polar coordinates
bestFitValues, ier = optimize.leastsq(residualsPlane, estimate, args=(dataTupel))
xF,yF,zF,tF,pF = bestFitValues
point = [xF,yF,zF]
normal = [sin(tF)*cos(pF),sin(tF)*sin(pF),cos(tF)]
# Fitting a circle inside the plane
#creating two inplane vectors
sArr=np.cross(np.array([1,0,0]),np.array(normal))#assuming that normal not parallel x!
sArr=sArr/np.linalg.norm(sArr)
rArr=np.cross(sArr,np.array(normal))
rArr=rArr/np.linalg.norm(rArr)#should be normalized already, but anyhow
def residualsCircle(parameters,dataPoint):
r,s,Ri = parameters
planePointArr = s*sArr + r*rArr + np.array(point)
distance = [ np.linalg.norm( planePointArr-np.array([x,y,z])) for x,y,z in dataPoint]
res = [(Ri-dist) for dist in distance]
return res
estimateCircle = [0, 0, 335] # px,py,pz and zeta, phi
bestCircleFitValues, ier = optimize.leastsq(residualsCircle, estimateCircle,args=(dataTupel))
rF,sF,RiF = bestCircleFitValues
print bestCircleFitValues
# Synthetic Data
centerPointArr=sF*sArr + rF*rArr + np.array(point)
synthetic=[list(centerPointArr+ RiF*cos(phi)*rArr+RiF*sin(phi)*sArr) for phi in np.linspace(0, 2*pi,50)]
[cxTupel,cyTupel,czTupel]=[ x for x in zip(*synthetic)]
### Plotting
d = -np.dot(np.array(point),np.array(normal))# dot product
# create x,y mesh
xx, yy = np.meshgrid(np.linspace(2000,2200,10), np.linspace(540,740,10))
# calculate corresponding z
# Note: does not work if normal vector is without z-component
z = (-normal[0]*xx - normal[1]*yy - d)/normal[2]
# plot the surface, data, and synthetic circle
fig = plt.figure()
ax = fig.add_subplot(211, projection='3d')
ax.scatter(xs, ys, zs, c='b', marker='o')
ax.plot_wireframe(xx,yy,z)
ax.set_xlabel('X Label')
ax.set_ylabel('Y Label')
ax.set_zlabel('Z Label')
bx = fig.add_subplot(212, projection='3d')
bx.scatter(xs, ys, zs, c='b', marker='o')
bx.scatter(cxTupel,cyTupel,czTupel, c='r', marker='o')
bx.set_xlabel('X Label')
bx.set_ylabel('Y Label')
bx.set_zlabel('Z Label')
plt.show()
which give a radius of 245. This is close to what the other approach gave (249). So within error margins I get the same.
The plotted result looks reasonable.
Hope this helps.
Feel like you missed some constraints in your 1st version code. The implementation could be explained as fitting a sphere to 3d points. So that's why the 2nd radius for 2nd data list is almost straight line. It's thinking like you are giving it a small circle on a large sphere.

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