/
_ppoly.pyx
918 lines (766 loc) · 26.8 KB
/
_ppoly.pyx
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"""
Routines for evaluating and manipulating piecewise polynomials in
local power basis.
"""
from .polyint import _Interpolator1D
import numpy as np
cimport numpy as cnp
cimport cython
cdef double nan = np.nan
cimport libc.stdlib
cimport libc.math
ctypedef double complex double_complex
ctypedef fused double_or_complex:
double
double complex
cdef extern:
void dgeev_(char *jobvl, char *jobvr, int *n, double *a,
int *lda, double *wr, double *wi, double *vl, int *ldvl,
double *vr, int *ldvr, double *work, int *lwork,
int *info)
#------------------------------------------------------------------------------
# Piecewise power basis polynomials
#------------------------------------------------------------------------------
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
def evaluate(double_or_complex[:,:,::1] c,
double[::1] x,
double[::1] xp,
int dx,
int extrapolate,
double_or_complex[:,::1] out):
"""
Evaluate a piecewise polynomial.
Parameters
----------
c : ndarray, shape (k, m, n)
Coefficients local polynomials of order `k-1` in `m` intervals.
There are `n` polynomials in each interval.
Coefficient of highest order-term comes first.
x : ndarray, shape (m+1,)
Breakpoints of polynomials
xp : ndarray, shape (r,)
Points to evaluate the piecewise polynomial at.
dx : int
Order of derivative to evaluate. The derivative is evaluated
piecewise and may have discontinuities.
extrapolate : int, optional
Whether to extrapolate to ouf-of-bounds points based on first
and last intervals, or to return NaNs.
out : ndarray, shape (r, n)
Value of each polynomial at each of the input points.
This argument is modified in-place.
"""
cdef int ip, jp
cdef int interval
cdef double xval
# check derivative order
if dx < 0:
raise ValueError("Order of derivative cannot be negative")
# shape checks
if out.shape[0] != xp.shape[0]:
raise ValueError("out and xp have incompatible shapes")
if out.shape[1] != c.shape[2]:
raise ValueError("out and c have incompatible shapes")
if c.shape[1] != x.shape[0] - 1:
raise ValueError("x and c have incompatible shapes")
# evaluate
interval = 0
for ip in range(len(xp)):
xval = xp[ip]
# Find correct interval
i = find_interval(x, xval, interval, extrapolate)
if i < 0:
# xval was nan etc
for jp in range(c.shape[2]):
out[ip, jp] = nan
continue
else:
interval = i
# Evaluate the local polynomial(s)
for jp in range(c.shape[2]):
out[ip, jp] = evaluate_poly1(xval - x[interval], c, interval, jp, dx)
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
def fix_continuity(double_or_complex[:,:,::1] c,
double[::1] x,
int order):
"""
Make a piecewise polynomial continuously differentiable to given order.
Parameters
----------
c : ndarray, shape (k, m, n)
Coefficients local polynomials of order `k-1` in `m` intervals.
There are `n` polynomials in each interval.
Coefficient of highest order-term comes first.
Coefficients c[-order-1:] are modified in-place.
x : ndarray, shape (m+1,)
Breakpoints of polynomials
order : int
Order up to which enforce piecewise differentiability.
"""
cdef int ip, jp, kp, dx
cdef int interval
cdef double_or_complex res
cdef double xval
# check derivative order
if order < 0:
raise ValueError("Order of derivative cannot be negative")
# shape checks
if c.shape[1] != x.shape[0] - 1:
raise ValueError("x and c have incompatible shapes")
if order >= c.shape[0] - 1:
raise ValueError("order too large")
if order < 0:
raise ValueError("order negative")
# evaluate
for ip in range(1, len(x)-1):
xval = x[ip]
interval = ip - 1
for jp in range(c.shape[2]):
# ensure continuity for derivatives, starting at the
# highest one (the lower derivatives depend on the higher
# ones, but not vice versa)
for dx in range(order, -1, -1):
# evaluate dx-th derivative of the polynomial in previous interval
res = evaluate_poly1(xval - x[interval], c, interval, jp, dx)
# set dx-th coefficient of polynomial in current
# interval so that the dx-th derivative is continuous
for kp in range(dx):
res /= kp + 1
c[c.shape[0] - dx - 1, ip, jp] = res
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
def integrate(double_or_complex[:,:,::1] c,
double[::1] x,
double a,
double b,
int extrapolate,
double_or_complex[::1] out):
"""
Compute integral over a piecewise polynomial.
Parameters
----------
c : ndarray, shape (k, m, n)
Coefficients local polynomials of order `k-1` in `m` intervals.
x : ndarray, shape (m+1,)
Breakpoints of polynomials
a : double
Start point of integration.
b : double
End point of integration.
extrapolate : int, optional
Whether to extrapolate to ouf-of-bounds points based on first
and last intervals, or to return NaNs.
out : ndarray, shape (n,)
Integral of the piecewise polynomial, assuming the polynomial
is zero outside the range (x[0], x[-1]).
This argument is modified in-place.
"""
cdef int jp
cdef int start_interval, end_interval, interval
cdef double_or_complex va, vb, vtot
# shape checks
if c.shape[1] != x.shape[0] - 1:
raise ValueError("x and c have incompatible shapes")
if out.shape[0] != c.shape[2]:
raise ValueError("x and c have incompatible shapes")
# fix integration order
if not (b >= a):
raise ValueError("Integral bounds not in order")
# find intervals
start_interval = find_interval(x, a, 0, extrapolate)
if start_interval < 0:
out[:] = nan
return
end_interval = find_interval(x, b, 0, extrapolate)
if end_interval < 0:
out[:] = nan
return
# evaluate
for jp in range(c.shape[2]):
vtot = 0
for interval in range(start_interval, end_interval+1):
# local antiderivative, end point
if interval == end_interval:
vb = evaluate_poly1(b - x[interval], c, interval, jp, -1)
else:
vb = evaluate_poly1(x[interval+1] - x[interval], c, interval, jp, -1)
# local antiderivative, start point
if interval == start_interval:
va = evaluate_poly1(a - x[interval], c, interval, jp, -1)
else:
va = evaluate_poly1(0, c, interval, jp, -1)
# integral
vtot = vtot + (vb - va)
out[jp] = vtot
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
def real_roots(double[:,:,::1] c, double[::1] x, int report_discont,
int extrapolate):
"""
Compute real roots of a real-valued piecewise polynomial function.
If a section of the piecewise polynomial is identically zero, the
values (x[begin], nan) are appended to the root list.
If the piecewise polynomial is not continuous, and the sign
changes across a breakpoint, the breakpoint is added to the root
set if `report_discont` is True.
Parameters
----------
c, x
Polynomial coefficients, as above
report_discont : int, optional
Whether to report discontinuities across zero at breakpoints
as roots
extrapolate : int, optional
Whether to consider roots obtained by extrapolating based
on first and last intervals.
"""
cdef list roots
cdef list cur_roots
cdef int interval, jp, k, i, p
cdef double *wr, *wi, last_root, va, vb
cdef double f, df, dx
cdef void *workspace
if c.shape[1] != x.shape[0] - 1:
raise ValueError("x and c have incompatible shapes")
if c.shape[0] == 0:
return np.array([], dtype=float)
wr = <double*>libc.stdlib.malloc(c.shape[0] * sizeof(double))
wi = <double*>libc.stdlib.malloc(c.shape[0] * sizeof(double))
workspace = NULL
last_root = nan
roots = []
try:
for jp in range(c.shape[2]):
cur_roots = []
for interval in range(c.shape[1]):
# Check for sign change across intervals
if interval > 0 and report_discont:
va = evaluate_poly1(x[interval] - x[interval-1], c, interval-1, jp, 0)
vb = evaluate_poly1(0, c, interval, jp, 0)
if (va < 0 and vb > 0) or (va > 0 and vb < 0):
# sign change between intervals
if x[interval] != last_root:
last_root = x[interval]
cur_roots.append(float(last_root))
# Compute first the complex roots
k = croots_poly1(c, interval, jp, wr, wi, &workspace)
# Check for errors and identically zero values
if k == -1:
# Zero everywhere
if x[interval] == x[interval+1]:
# Only a point
if x[interval] != last_root:
last_root = x[interval]
cur_roots.append(x[interval])
else:
# A real interval
cur_roots.append(x[interval])
cur_roots.append(np.nan)
last_root = nan
continue
elif k < -1:
# An error occurred
raise RuntimeError("Internal error in root finding; "
"please report this bug")
elif k == 0:
# No roots
continue
# Filter real roots
for i in range(k):
# Check real root
#
# The reality of a root is a decision that can be left to LAPACK,
# which has to determine this in any case.
if wi[i] != 0:
continue
# Refine root by one Newton iteration
f = evaluate_poly1(wr[i], c, interval, jp, 0)
df = evaluate_poly1(wr[i], c, interval, jp, 1)
if df != 0:
dx = f/df
if abs(dx) < abs(wr[i]):
wr[i] = wr[i] - dx
# Check interval
wr[i] += x[interval]
if interval == 0 and extrapolate:
# Half-open to the left
if not wr[i] <= x[interval+1]:
continue
elif interval == c.shape[1] - 1 and extrapolate:
# Half-open to the right
if not wr[i] >= x[interval]:
continue
else:
if not (x[interval] <= wr[i] <= x[interval+1]):
continue
# Add to list
if wr[i] != last_root:
last_root = wr[i]
cur_roots.append(float(last_root))
# Construct roots
roots.append(np.array(cur_roots, dtype=float))
finally:
if workspace != NULL:
libc.stdlib.free(workspace)
libc.stdlib.free(wr)
libc.stdlib.free(wi)
return roots
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
cdef int find_interval(double[::1] x,
double xval,
int prev_interval=0,
int extrapolate=1) nogil:
"""
Find an interval such that x[interval] <= xval < x[interval+1]
or interval == 0 and xval < x[0]
or interval == n-2 and xval > x[n-1]
Parameters
----------
x : array of double, shape (m,)
Piecewise polynomial breakpoints
xval : double
Point to find
prev_interval : int, optional
Interval where a previous point was found
extrapolate : int, optional
Whether to return the last of the first interval if the
point is ouf-of-bounds.
Returns
-------
interval : int
Suitable interval or -1 if nan.
"""
cdef int interval, high, low, mid
cdef double a, b
a = x[0]
b = x[x.shape[0]-1]
interval = prev_interval
if interval < 0 or interval >= x.shape[0]:
interval = 0
if not (a <= xval <= b):
# Out-of-bounds (or nan)
if xval < a and extrapolate:
# below
interval = 0
elif xval > b and extrapolate:
# above
interval = x.shape[0] - 2
else:
# nan or no extrapolation
interval = -1
elif xval == b:
# Make the interval closed from the right
interval = x.shape[0] - 2
else:
# Find the interval the coordinate is in
# (binary search with locality)
if xval >= x[interval]:
low = interval
high = x.shape[0]-2
else:
low = 0
high = interval
if xval < x[low+1]:
high = low
while low < high:
mid = (high + low)//2
if xval < x[mid]:
# mid < high
high = mid
elif xval >= x[mid + 1]:
low = mid + 1
else:
# x[mid] <= xval < x[mid+1]
low = mid
break
interval = low
return interval
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
cdef double_or_complex evaluate_poly1(double s, double_or_complex[:,:,::1] c, int ci, int cj, int dx) nogil:
"""
Evaluate polynomial, derivative, or antiderivative in a single interval.
Antiderivatives are evaluated assuming zero integration constants.
Parameters
----------
s : double
Polynomial x-value
c : double[:,:,:]
Polynomial coefficients. c[:,ci,cj] will be used
ci, cj : int
Which of the coefs to use
dx : int
Order of derivative (> 0) or antiderivative (< 0) to evaluate.
"""
cdef int kp, k
cdef double_or_complex res, z
cdef double prefactor
res = 0.0
z = 1.0
if dx < 0:
for k in range(-dx):
z *= s
for kp in range(c.shape[0]):
# prefactor of term after differentiation
if dx == 0:
prefactor = 1.0
elif dx > 0:
# derivative
if kp < dx:
continue
else:
prefactor = 1.0
for k in range(kp, kp - dx, -1):
prefactor *= k
else:
# antiderivative
prefactor = 1.0
for k in range(kp, kp - dx):
prefactor /= k + 1
res = res + c[c.shape[0] - kp - 1, ci, cj] * z * prefactor
# compute x**max(k-dx,0)
if kp < c.shape[0] - 1 and kp >= dx:
z *= s
return res
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
cdef int croots_poly1(double[:,:,::1] c, int ci, int cj, double* wr, double* wi,
void **workspace):
"""
Find all complex roots of a local polynomial.
Parameters
----------
c : ndarray, shape (k, m, n)
Coefficients of polynomials of order k
ci, cj : int
Index of the local polynomial whose coefficients c[:,ci,cj] to use
wr, wi : double*
Allocated double arrays of size `k`. The complex roots are stored
here after call. The roots are sorted in increasing order according
to the real part.
workspace : double**
Work space pointer. workspace[0] should be NULL on initial
call. Multiple subsequent calls with same `k` can share the
same `workspace`. If workspace[0] is non-NULL after the
calls, it must be freed with libc.stdlib.free.
Returns
-------
nroots : int
How many roots found for the polynomial.
If `-1`, the polynomial is identically zero.
If `< -1`, an error occurred.
Notes
-----
Uses LAPACK + the companion matrix method.
"""
cdef double *a, *work, a0, a1, a2, d, br, bi
cdef int lwork, n, i, j, order
cdef int nworkspace, info
n = c.shape[0]
# Check actual polynomial order
for j in range(n):
if c[j,ci,cj] != 0:
order = n - 1 - j
break
else:
order = -1
if order < 0:
# Zero everywhere
return -1
elif order == 0:
# Nonzero constant polynomial: no roots
return 0
elif order == 1:
# Low-order polynomial: a0*x + a1
a0 = c[n-1-order,ci,cj]
a1 = c[n-1-order+1,ci,cj]
wr[0] = -a1 / a0
wi[0] = 0
return 1
elif order == 2:
# Low-order polynomial: a0*x**2 + a1*x + a2
a0 = c[n-1-order,ci,cj]
a1 = c[n-1-order+1,ci,cj]
a2 = c[n-1-order+2,ci,cj]
d = a1*a1 - 4*a0*a2
if d < 0:
# no real roots
d = libc.math.sqrt(-d)
wr[0] = -a1/(2*a0)
wi[0] = -d/(2*a0)
wr[1] = -a1/(2*a0)
wi[1] = d/(2*a0)
return 2
d = libc.math.sqrt(d)
# avoid cancellation in subtractions
if d == 0:
wr[0] = -a1/(2*a0)
wi[0] = 0
wr[1] = -a1/(2*a0)
wi[1] = 0
elif a1 < 0:
wr[0] = (2*a2) / (-a1 + d) # == (-a1 - d)/(2*a0)
wi[0] = 0
wr[1] = (-a1 + d) / (2*a0)
wi[1] = 0
else:
wr[0] = (-a1 - d)/(2*a0)
wi[0] = 0
wr[1] = (2*a2) / (-a1 - d) # == (-a1 + d)/(2*a0)
wi[1] = 0
return 2
# Compute required workspace and allocate it
lwork = 1 + 8*n
if workspace[0] == NULL:
nworkspace = n*n + lwork
workspace[0] = libc.stdlib.malloc(nworkspace * sizeof(double))
a = <double*>workspace[0]
work = a + n*n
# Initialize the companion matrix, Fortran order
for j in range(order*order):
a[j] = 0
for j in range(order):
a[j + (order-1)*order] = -c[n-1-j,ci,cj]/c[n-1-order,ci,cj]
if j + 1 < order:
a[j+1 + order*j] = 1
# Compute companion matrix eigenvalues
info = 0
dgeev_("N", "N", &order, a, &order, <double*>wr, <double*>wi,
NULL, &order, NULL, &order, work, &lwork, &info)
if info != 0:
# Failure
return -2
# Sort roots (insertion sort)
for i in range(order):
br = wr[i]
bi = wi[i]
for j in range(i - 1, -1, -1):
if wr[j] > br:
wr[j+1] = wr[j]
wi[j+1] = wi[j]
else:
wr[j+1] = br
wi[j+1] = bi
break
else:
wr[0] = br
wi[0] = bi
# Return with roots
return order
def _croots_poly1(double[:,:,::1] c, double_complex[:,:,::1] w):
"""
Find roots of polynomials.
This function is for testing croots_poly1
Parameters
----------
c : ndarray, (k, m, n)
Coefficients of several order-k polynomials
w : ndarray, (k, m, n)
Output argument --- roots of the polynomials.
"""
cdef double *wr, *wi
cdef void *workspace
cdef int i, j, k, nroots
if (c.shape[0] != w.shape[0] or c.shape[1] != w.shape[1]
or c.shape[2] != w.shape[2]):
raise ValueError("c and w have incompatible shapes")
if c.shape[0] <= 0:
return
wr = <double*>libc.stdlib.malloc(c.shape[0] * sizeof(double))
wi = <double*>libc.stdlib.malloc(c.shape[0] * sizeof(double))
workspace = NULL
try:
for i in range(c.shape[1]):
for j in range(c.shape[2]):
for k in range(c.shape[0]):
w[k,i,j] = nan
nroots = croots_poly1(c, i, j, wr, wi, &workspace)
if nroots == -1:
continue
elif nroots < -1 or nroots >= c.shape[0]:
raise RuntimeError("root-finding failed")
for k in range(nroots):
w[k,i,j].real = wr[k]
w[k,i,j].imag = wi[k]
finally:
if workspace != NULL:
libc.stdlib.free(workspace)
libc.stdlib.free(wr)
libc.stdlib.free(wi)
#------------------------------------------------------------------------------
# Piecewise Bernstein basis polynomials
#------------------------------------------------------------------------------
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
cdef double_or_complex evaluate_bpoly1(double_or_complex s,
double_or_complex[:,:,::1] c,
int ci, int cj) nogil:
"""
Evaluate polynomial in the Berstein basis in a single interval.
A Berstein polynomial is defined as
.. math:: b_{j, k} = comb(k, j) x^{j} (1-x)^{k-j}
with ``0 <= x <= 1``.
Parameters
----------
s : double
Polynomial x-value
c : double[:,:,:]
Polynomial coefficients. c[:,ci,cj] will be used
ci, cj : int
Which of the coefs to use
"""
cdef int k, j
cdef double_or_complex res, s1, comb
k = c.shape[0] - 1 # polynomial order
s1 = 1. - s
# special-case lowest orders
if k == 0:
res = c[0, ci, cj]
elif k == 1:
res = c[0, ci, cj] * s1 + c[1, ci, cj] * s
elif k == 2:
res = c[0, ci, cj] * s1*s1 + c[1, ci, cj] * 2.*s1*s + c[2, ci, cj] * s*s
elif k == 3:
res = (c[0, ci, cj] * s1*s1*s1 + c[1, ci, cj] * 3.*s1*s1*s +
c[2, ci, cj] * 3.*s1*s*s + c[3, ci, cj] * s*s*s)
else:
# XX: replace with de Casteljau's algorithm if needs be
res, comb = 0., 1.
for j in range(k+1):
res += comb * s**j * s1**(k-j) * c[j, ci, cj]
comb *= 1. * (k-j) / (j+1.)
return res
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
cdef double_or_complex evaluate_bpoly1_deriv(double_or_complex s,
double_or_complex[:,:,::1] c,
int ci, int cj,
int nu,
double_or_complex[:,:,::1] wrk) nogil:
"""
Evaluate the derivative of a polynomial in the Berstein basis
in a single interval.
A Berstein polynomial is defined as
.. math:: b_{j, k} = comb(k, j) x^{j} (1-x)^{k-j}
with ``0 <= x <= 1``.
The algorithm is detailed in BPoly._construct_from_derivatives.
Parameters
----------
s : double
Polynomial x-value
c : double[:,:,:]
Polynomial coefficients. c[:,ci,cj] will be used
ci, cj : int
Which of the coefs to use
nu : int
Order of the derivative to evaluate. Assumed strictly positive
(no checks are made).
wrk : double[:,:,::1]
A work array, shape (c.shape[0]-nu, 1, 1).
"""
cdef int k, j, a
cdef double_or_complex res, term
cdef double comb, poch
k = c.shape[0] - 1 # polynomial order
if nu == 0:
res = evaluate_bpoly1(s, c, ci, cj)
else:
poch = 1.
for a in range(nu):
poch *= k - a
term = 0.
for a in range(k - nu + 1):
term, comb = 0., 1.
for j in range(nu+1):
term += c[j+a, ci, cj] * (-1)**(j+nu) * comb
comb *= 1. * (nu-j) / (j+1)
wrk[a, 0, 0] = term * poch
res = evaluate_bpoly1(s, wrk, 0, 0)
return res
#
# Evaluation; only differs from _ppoly by evaluate_poly1 -> evaluate_bpoly1
#
@cython.wraparound(False)
@cython.boundscheck(False)
@cython.cdivision(True)
def evaluate_bernstein(double_or_complex[:,:,::1] c,
double[::1] x,
double[::1] xp,
int nu,
int extrapolate,
double_or_complex[:,::1] out,
cnp.dtype dt):
"""
Evaluate a piecewise polynomial in the Bernstein basis.
Parameters
----------
c : ndarray, shape (k, m, n)
Coefficients local polynomials of order `k-1` in `m` intervals.
There are `n` polynomials in each interval.
Coefficient of highest order-term comes first.
x : ndarray, shape (m+1,)
Breakpoints of polynomials
xp : ndarray, shape (r,)
Points to evaluate the piecewise polynomial at.
nu : int
Order of derivative to evaluate. The derivative is evaluated
piecewise and may have discontinuities.
extrapolate : int, optional
Whether to extrapolate to ouf-of-bounds points based on first
and last intervals, or to return NaNs.
out : ndarray, shape (r, n)
Value of each polynomial at each of the input points.
This argument is modified in-place.
"""
cdef int ip, jp
cdef int interval
cdef double xval
cdef double_or_complex s, ds, ds_nu
cdef double_or_complex[:,:,::1] wrk
# check derivative order
if nu < 0:
raise NotImplementedError("Cannot do antiderivatives in the B-basis yet.")
# shape checks
if out.shape[0] != xp.shape[0]:
raise ValueError("out and xp have incompatible shapes")
if out.shape[1] != c.shape[2]:
raise ValueError("out and c have incompatible shapes")
if c.shape[1] != x.shape[0] - 1:
raise ValueError("x and c have incompatible shapes")
if nu > 0:
wrk = np.empty((c.shape[0]-nu, 1, 1), dtype=dt)
# evaluate
interval = 0
for ip in range(len(xp)):
xval = xp[ip]
# Find correct interval
i = find_interval(x, xval, interval, extrapolate)
if i < 0:
# xval was nan etc
for jp in range(c.shape[2]):
out[ip, jp] = nan
continue
else:
interval = i
# Evaluate the local polynomial(s)
ds = x[interval+1] - x[interval]
ds_nu = ds**nu
for jp in range(c.shape[2]):
s = (xval - x[interval]) / ds
if nu == 0:
out[ip, jp] = evaluate_bpoly1(s, c, interval, jp)
else:
out[ip, jp] = evaluate_bpoly1_deriv(s, c, interval, jp,
nu, wrk) / ds_nu