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locate, prod, tol (#853)
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gertjanvanzwieten committed Feb 9, 2024
2 parents 1ea8345 + a05f972 commit 5665a67
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Showing 6 changed files with 110 additions and 81 deletions.
2 changes: 1 addition & 1 deletion nutils/__init__.py
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
'Numerical Utilities for Finite Element Analysis'

__version__ = version = '8.5'
__version__ = version = '8.6'
version_name = 'idiyappam'
long_version = ('{} "{}"' if version_name else '{}').format(version, version_name)

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5 changes: 3 additions & 2 deletions nutils/function.py
Original file line number Diff line number Diff line change
Expand Up @@ -353,7 +353,7 @@ def prod(self, __axis: int) -> 'Array':
:class:`Array`
'''

return numpy.product(self, __axis)
return numpy.prod(self, __axis)

def dot(self, __other: IntoArray, axes: Optional[Union[int, Sequence[int]]] = None) -> 'Array':
'''Return the inner product of the arguments over the given axes, elementwise over the remanining axes.
Expand Down Expand Up @@ -2103,7 +2103,7 @@ def sum(__arg: IntoArray, axis: Optional[Union[int, Sequence[int]]] = None) -> A
return summed


@_use_instead('numpy.product')
@_use_instead('numpy.prod')
def product(__arg: IntoArray, axis: int) -> Array:
'''Return the product of array elements over the given axes.
Expand Down Expand Up @@ -4256,6 +4256,7 @@ def sum(arg: IntoArray, axis: Optional[Union[int, Sequence[int]]] = None) -> Arr
summed = _Wrapper(evaluable.Sum, summed, shape=summed.shape[:-1], dtype=summed.dtype)
return summed

@implements(numpy.prod)
@implements(numpy.product)
def product(arg: IntoArray, axis: int) -> Array:
arg = Array.cast(arg)
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3 changes: 2 additions & 1 deletion nutils/matrix/_scipy.py
Original file line number Diff line number Diff line change
Expand Up @@ -82,7 +82,8 @@ def mycallback(arg):
if callback:
callback(res)
reformat(100 * numpy.log10(max(atol, res)) / numpy.log10(atol))
lhs, status = solverfun(self.core, rhs, M=precon, tol=0., atol=atol, callback=mycallback, **solverargs)
solverargs['rtol' if scipy.version.version >= '1.12' else 'tol'] = 0.
lhs, status = solverfun(self.core, rhs, M=precon, atol=atol, callback=mycallback, **solverargs)
if status != 0:
raise Exception('status {}'.format(status))
return lhs
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177 changes: 101 additions & 76 deletions nutils/topology.py
Original file line number Diff line number Diff line change
Expand Up @@ -785,6 +785,82 @@ def locate(self, geom, coords, *, tol=0, eps=0, maxiter=0, arguments=None, weigh
located : :class:`nutils.sample.Sample`
'''

if ischeme is not None:
warnings.deprecation('the ischeme argument is deprecated and will be removed in future')
if scale is not None:
warnings.deprecation('the scale argument is deprecated and will be removed in future')
if max(tol, eps) <= 0:
raise ValueError('locate requires either tol or eps to be strictly positive')
coords = numpy.asarray(coords, dtype=float)
if geom.ndim == 0:
geom = geom[_]
coords = coords[..., _]
if not geom.shape == coords.shape[1:] == (self.ndims,):
raise ValueError('invalid geometry or point shape for {}D topology'.format(self.ndims))
if skip_missing and weights is not None:
raise ValueError('weights and skip_missing are mutually exclusive')
arguments = dict(arguments or ())
centroids = self.sample('_centroid', None).eval(geom, **arguments)
assert len(centroids) == len(self)
ielems = parallel.shempty(len(coords), dtype=int)
points = parallel.shempty((len(coords), len(geom)), dtype=float)
_ielem = evaluable.Argument('_locate_ielem', shape=(), dtype=int)
_point = evaluable.Argument('_locate_point', shape=(evaluable.constant(self.ndims),))
egeom = geom.lower(self._lower_args(_ielem, _point))
xJ = evaluable.Tuple((egeom, evaluable.derivative(egeom, _point))).simplified
with parallel.ctxrange('locating', len(coords)) as ipoints:
for ipoint in ipoints:
xt = coords[ipoint] # target
dist = numpy.linalg.norm(centroids - xt, axis=1)
for ielem in numpy.argsort(dist) if maxdist is None \
else sorted((dist < maxdist).nonzero()[0], key=dist.__getitem__):
ref = self.references[ielem]
arguments['_locate_ielem'] = ielem
arguments['_locate_point'] = p = numpy.array(ref.centroid)
ex = ep = numpy.inf
iiter = 0
while ex > tol and ep > eps: # newton loop
if iiter > maxiter > 0:
break # maximum number of iterations reached
iiter += 1
xp, Jp = xJ.eval(**arguments)
dx = xt - xp
ex0 = ex
ex = numpy.linalg.norm(dx)
if ex >= ex0:
break # newton is diverging
try:
dp = numpy.linalg.solve(Jp, dx)
except numpy.linalg.LinAlgError:
break # jacobian is singular
ep = numpy.linalg.norm(dp)
p += dp # NOTE: modifies arguments['_locate_point'] in place
else:
if ref.inside(p, max(eps, ep)):
ielems[ipoint] = ielem
points[ipoint] = p
break
else:
ielems[ipoint] = -1 # mark point as missing
if not skip_missing:
# rather than raising LocateError here, which
# parallel.fork will reraise as a general Exception if
# ipoint was assigned to a child process, we fast
# forward through the remaining points to abandon the
# loop and subsequently raise from the main process.
for ipoint in ipoints:
pass
if -1 not in ielems: # all points are found
return self._sample(ielems, points, weights)
elif skip_missing: # not all points are found and that's ok, we just leave those out
return self._sample(ielems[ielems != -1], points[ielems != -1])
else: # not all points are found and that's an error
raise LocateError(f'failed to locate point: {coords[ielems==-1][0]}')

def _lower_args(self, ielem, point):
raise NotImplementedError

def _sample(self, ielems, coords, weights=None):
raise NotImplementedError

@cached_property
Expand Down Expand Up @@ -985,8 +1061,11 @@ def withgroups(self, vgroups: Mapping[str, Union[str, Topology]] = {}, bgroups:
def indicator(self, subtopo: Union[str, Topology]) -> Topology:
raise SkipTest('`{}` does not implement `Topology.indicator`'.format(type(self).__qualname__))

def locate(self, geom, coords, *, tol=0, eps=0, maxiter=0, arguments=None, weights=None, maxdist=None, ischeme=None, scale=None, skip_missing=False) -> Sample:
raise SkipTest('`{}` does not implement `Topology.locate`'.format(type(self).__qualname__))
def _lower_args(self, ielem, point):
raise SkipTest('`{}` does not implement `Topology._lower_args`'.format(type(self).__qualname__))

def _sample(self, ielems, coords, weights=None):
raise SkipTest('`{}` does not implement `Topology._sample`'.format(type(self).__qualname__))

else:
_TensorialTopology = Topology
Expand Down Expand Up @@ -1241,6 +1320,23 @@ def basis(self, name: str, degree: Union[int, Sequence[int]], **kwargs) -> funct
def sample(self, ischeme: str, degree: int) -> Sample:
return self.topo1.sample(ischeme, degree) * self.topo2.sample(ischeme, degree)

def _lower_args(self, ielem, point):
ielem1, ielem2 = evaluable.divmod(ielem, len(self.topo2))
largs1 = self.topo1._lower_args(ielem1, point[:self.topo1.ndims])
largs2 = self.topo2._lower_args(ielem2, point[self.topo1.ndims:])
return largs1 | largs2

def _sample(self, ielems, coords, weights=None):
ielems1, ielems2 = divmod(ielems, len(self.topo2))
sample1 = self.topo1._sample(ielems1, coords[...,:self.topo1.ndims], weights)
sample2 = self.topo2._sample(ielems2, coords[...,self.topo1.ndims:])
# NOTE: zip creates a sample with ndims set equal to that of the first
# argument, assuming (without verifying) that all samples are of the
# same dimension. Here this assumption is incorrect, as ndims should be
# the sum of the two samples, but since zipped samples do not support
# tri and hull the mistake is without consequences.
return Sample.zip(sample1, sample2)


class _Take(_TensorialTopology):

Expand Down Expand Up @@ -1522,80 +1618,6 @@ def indicator(self, subtopo):
values[numpy.fromiter(map(self.transforms.index, subtopo.transforms), dtype=int)] = 1
return function.get(values, 0, self.f_index)

@log.withcontext
def locate(self, geom, coords, *, tol=0, eps=0, maxiter=0, arguments=None, weights=None, maxdist=None, ischeme=None, scale=None, skip_missing=False):
if ischeme is not None:
warnings.deprecation('the ischeme argument is deprecated and will be removed in future')
if scale is not None:
warnings.deprecation('the scale argument is deprecated and will be removed in future')
if max(tol, eps) <= 0:
raise ValueError('locate requires either tol or eps to be strictly positive')
coords = numpy.asarray(coords, dtype=float)
if geom.ndim == 0:
geom = geom[_]
coords = coords[..., _]
if not geom.shape == coords.shape[1:] == (self.ndims,):
raise ValueError('invalid geometry or point shape for {}D topology'.format(self.ndims))
if skip_missing and weights is not None:
raise ValueError('weights and skip_missing are mutually exclusive')
arguments = dict(arguments or ())
centroids = self.sample('_centroid', None).eval(geom, **arguments)
assert len(centroids) == len(self)
ielems = parallel.shempty(len(coords), dtype=int)
points = parallel.shempty((len(coords), len(geom)), dtype=float)
_ielem = evaluable.Argument('_locate_ielem', shape=(), dtype=int)
_point = evaluable.Argument('_locate_point', shape=(evaluable.constant(self.ndims),))
egeom = geom.lower(function.LowerArgs.for_space(self.space, (self.transforms, self.opposites), _ielem, _point))
xJ = evaluable.Tuple((egeom, evaluable.derivative(egeom, _point))).simplified
with parallel.ctxrange('locating', len(coords)) as ipoints:
for ipoint in ipoints:
xt = coords[ipoint] # target
dist = numpy.linalg.norm(centroids - xt, axis=1)
for ielem in numpy.argsort(dist) if maxdist is None \
else sorted((dist < maxdist).nonzero()[0], key=dist.__getitem__):
ref = self.references[ielem]
arguments['_locate_ielem'] = ielem
arguments['_locate_point'] = p = numpy.array(ref.centroid)
ex = ep = numpy.inf
iiter = 0
while ex > tol and ep > eps: # newton loop
if iiter > maxiter > 0:
break # maximum number of iterations reached
iiter += 1
xp, Jp = xJ.eval(**arguments)
dx = xt - xp
ex0 = ex
ex = numpy.linalg.norm(dx)
if ex >= ex0:
break # newton is diverging
try:
dp = numpy.linalg.solve(Jp, dx)
except numpy.linalg.LinAlgError:
break # jacobian is singular
ep = numpy.linalg.norm(dp)
p += dp # NOTE: modifies arguments['_locate_point'] in place
else:
if ref.inside(p, max(eps, ep)):
ielems[ipoint] = ielem
points[ipoint] = p
break
else:
ielems[ipoint] = -1 # mark point as missing
if not skip_missing:
# rather than raising LocateError here, which
# parallel.fork will reraise as a general Exception if
# ipoint was assigned to a child process, we fast
# forward through the remaining points to abandon the
# loop and subsequently raise from the main process.
for ipoint in ipoints:
pass
if -1 not in ielems: # all points are found
return self._sample(ielems, points, weights)
elif skip_missing: # not all points are found and that's ok, we just leave those out
return self._sample(ielems[ielems != -1], points[ielems != -1])
else: # not all points are found and that's an error
raise LocateError(f'failed to locate point: {coords[ielems==-1][0]}')

def _sample(self, ielems, coords, weights=None):
index = numpy.argsort(ielems, kind='stable')
sorted_ielems = ielems[index]
Expand Down Expand Up @@ -1719,6 +1741,9 @@ def basis_bernstein(self, degree):

basis_std = basis_bernstein

def _lower_args(self, ielem, point):
return function.LowerArgs.for_space(self.space, (self.transforms, self.opposites), ielem, point)


class LocateError(Exception):
pass
Expand Down
2 changes: 1 addition & 1 deletion tests/test_sample.py
Original file line number Diff line number Diff line change
Expand Up @@ -280,7 +280,7 @@ def test_integrate(self):
self.assertAlmostEqual(self.stitched.integrate(function.J(self.geomX)), 5/9) # NOTE: != norm(slope)

def test_nested(self):
with self.assertRaisesRegex(ValueError, 'Nested integrals or samples in the same space: X, Y.'):
with self.assertRaisesRegex(ValueError, 'Nested integrals or samples in the same space: X.*, Y.'):
self.stitched.integral(self.stitched.integral(1)).eval()
topoZ, geomZ = mesh.line(2, space='Z')
inner = self.stitched.integral((geomZ - self.geomX) * function.J(self.geomY))
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2 changes: 2 additions & 0 deletions tests/test_topology.py
Original file line number Diff line number Diff line change
Expand Up @@ -974,6 +974,8 @@ def test_missing_argument(self):

@parametrize.enable_if(lambda etype, mode, **kwargs: etype == 'square' and mode != 'nonlinear')
def test_detect_linear(self):
if os.environ.get('NUTILS_TENSORIAL'):
self.skipTest('linear detection not supported yet in tensorial mode')
target = numpy.array([(.2, .3)])
with self.assertLogs('nutils', level='DEBUG') as cm:
self.domain.locate(self.geom, target, eps=1e-15, tol=1e-12, arguments=dict(scale=.123))
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