def test_add_bin_distance(self):
bin_mapper = WExploreBinMapper([2, 2, 2], [4.0, 2.0, 1.0], dfunc)
bin_mapper.centers = [[0.0]]
bin_mapper.add_bin(None, 0)
pcoords = np.array([[0.0], [4.1], [5.1]], np.float32)
assign = bin_mapper.assign(pcoords, add_bins=True)
assert list(assign) == [0, 0, 0]
assert bin_mapper.nbins == 2
assign = bin_mapper.assign(pcoords)
assert list(assign) == [0, 1, 1]
#---------
pcoords = np.array([[0.0], [0.9], [9.5]], np.float32)
assign = bin_mapper.assign(pcoords, add_bins=True)
assert list(assign) == [0, 0, 1]
assert bin_mapper.nbins == 3
assign = bin_mapper.assign(pcoords)
assert list(assign) == [0, 0, 2]
#---------
pcoords = np.array([[1.2], [10.6]], np.float32)
assign = bin_mapper.assign(pcoords, add_bins=True)
assert list(assign) == [0, 2]
assert bin_mapper.nbins == 5
assign = bin_mapper.assign(pcoords)
assert list(assign) == [3, 4]
def test_nested_mapper(self):
# Tests for nested mapping. Setting up the system (some arbitrary values, here)
wexploreMapper = WExploreBinMapper(n_regions=[4,4,4], d_cut=[2, .75, 0.25], dfunc=dfunc)
wexploreMapper.centers = [[2.5, 7.0]]
wexploreMapper.add_bin(None, 0)
outerMapper = FuncBinMapper(fn2,2)
recurseMapper = RecursiveBinMapper(outerMapper)
RectiMapper = RectilinearBinMapper([[10.00, float('inf')], [0.0, float('inf')]])
recurseMapper.add_mapper(wexploreMapper, [9.9, 0])
recurseMapper.add_mapper(RectiMapper, [10, 0])
bin_mapper = recurseMapper
# Now, begin testing setup...
assert bin_mapper.nbins == 2
wexploreMappers = []
for key,i in bin_mapper.mapper_list.iteritems():
if isinstance(i['base_mapper'], WExploreBinMapper) == True:
wexploreMappers.append(i)
self.wexploreMappers = wexploreMappers
wexploreMappers[0]['base_mapper'].add_bin(0,1)
bin_mapper.refresh_mappers()
assert bin_mapper.nbins == 3
def test_add_bin(self):
bin_mapper = WExploreBinMapper([2, 2, 2], [4.0, 2.0, 1.0], dfunc)
bin_mapper.add_bin(None, [0.0, 0.0])
assert bin_mapper.nbins == 1
assert bin_mapper.next_bin_index == 3
for k in xrange(3):
assert len(bin_mapper.level_indices[k]) == 1
bin_mapper.add_bin(None, [-3.0, 0.0])
assert bin_mapper.nbins == 2
for k in xrange(3):
assert len(bin_mapper.level_indices[k]) == 2
node = bin_mapper.level_indices[1][0]
bin_mapper.add_bin(node, [-0.5, 0.0])
assert bin_mapper.nbins == 3
assert len(bin_mapper.level_indices[0]) == 2
assert len(bin_mapper.level_indices[1]) == 2
assert len(bin_mapper.level_indices[2]) == 3
# Should not add bins when adding a bin with a parent
# in the lowest level
node = bin_mapper.level_indices[2][0]
bin_mapper.add_bin(node, [-0.5, 0.0])
assert bin_mapper.nbins == 3
assert len(bin_mapper.level_indices[0]) == 2
assert len(bin_mapper.level_indices[1]) == 2
assert len(bin_mapper.level_indices[2]) == 3
def test_add_bin(self):
bin_mapper = WExploreBinMapper([2, 2, 2], [4.0, 2.0, 1.0], dfunc)
bin_mapper.add_bin(None, [0.0, 0.0])
assert bin_mapper.nbins == 1
assert bin_mapper.next_bin_index == 3
for k in xrange(3):
assert len(bin_mapper.level_indices[k]) == 1
bin_mapper.add_bin(None, [-3.0, 0.0])
assert bin_mapper.nbins == 2
for k in xrange(3):
assert len(bin_mapper.level_indices[k]) == 2
node = bin_mapper.level_indices[1][0]
bin_mapper.add_bin(node, [-0.5, 0.0])
assert bin_mapper.nbins == 3
assert len(bin_mapper.level_indices[0]) == 2
assert len(bin_mapper.level_indices[1]) == 2
assert len(bin_mapper.level_indices[2]) == 3
# Should not add bins when adding a bin with a parent
# in the lowest level
node = bin_mapper.level_indices[2][0]
bin_mapper.add_bin(node, [-0.5, 0.0])
assert bin_mapper.nbins == 3
assert len(bin_mapper.level_indices[0]) == 2
assert len(bin_mapper.level_indices[1]) == 2
assert len(bin_mapper.level_indices[2]) == 3
def test_balance_replicas(self):
bin_mapper = WExploreBinMapper([2, 2, 2], [4.0, 2.0, 1.0], dfunc)
for k in xrange(2):
bin_mapper.add_bin(None, None)
for node in bin_mapper.level_indices[0]:
bin_mapper.add_bin(node, None)
for node in bin_mapper.level_indices[1]:
bin_mapper.add_bin(node, None)
assignments = np.array(
[1, 0, 0, 0, 0, 0, 0, 2, 2, 3, 4, 5, 6, 6, 6, 7])
target_count = bin_mapper.balance_replicas(16, assignments)
assert (target_count == 2 * np.ones(8, dtype=np.int)).all()
def test_balance_replicas(self):
bin_mapper = WExploreBinMapper([2, 2, 2], [4.0, 2.0, 1.0], dfunc)
for k in xrange(2):
bin_mapper.add_bin(None, None)
for node in bin_mapper.level_indices[0]:
bin_mapper.add_bin(node, None)
for node in bin_mapper.level_indices[1]:
bin_mapper.add_bin(node, None)
assignments = np.array([1, 0, 0, 0, 0, 0, 0, 2, 2, 3, 4, 5, 6, 6, 6, 7])
target_count = bin_mapper.balance_replicas(16, assignments)
assert (target_count == 2*np.ones(8, dtype=np.int)).all()
def test_fetch_centers(self):
bin_mapper = WExploreBinMapper([3, 3, 3], [4.0, 2.0, 1.0], dfunc)
coords = np.arange(20).reshape((10, 2))
bin_mapper.centers = coords[:3]
for k in xrange(3):
bin_mapper.add_bin(None, k)
centers = bin_mapper.fetch_centers(bin_mapper.level_indices[0])
assert np.allclose(centers, coords[:3, :])
centers = bin_mapper.fetch_centers([0, 1, 2])
assert np.allclose(centers, np.vstack(
(coords[0], coords[0], coords[0])))
centers = bin_mapper.fetch_centers([0])
assert np.allclose(centers, coords[0])
def test_fetch_centers(self):
bin_mapper = WExploreBinMapper([3, 3, 3], [4.0, 2.0, 1.0], dfunc)
coords = np.arange(20).reshape((10,2))
bin_mapper.centers = coords[:3]
for k in xrange(3):
bin_mapper.add_bin(None, k)
centers = bin_mapper.fetch_centers(bin_mapper.level_indices[0])
assert np.allclose(centers, coords[:3,:])
centers = bin_mapper.fetch_centers([0, 1, 2])
assert np.allclose(centers,
np.vstack((coords[0], coords[0], coords[0])))
centers = bin_mapper.fetch_centers([0])
assert np.allclose(centers, coords[0])
def test_assign_1D(self):
bin_mapper = WExploreBinMapper([2, 2, 2], [4.0, 2.0, 1.0], dfunc)
bin_mapper.centers = [[-1.0], [1.0], [-2.0], [2.0], [10.0]]
bin_mapper.add_bin(None, 0)
bin_mapper.add_bin(None, 1)
for node in bin_mapper.level_indices[0]:
cix = bin_mapper.bin_graph.node[node]['center_ix']
if bin_mapper.centers[cix][0] > 0:
bin_mapper.add_bin(node, 3)
else:
bin_mapper.add_bin(node, 2)
for nix in [1, 4, 6, 8]:
bin_mapper.add_bin(nix, 4)
pcoords = np.array([[-1.0], [1.0], [2.0],
[-2.0], [10.0], [-10.0],
[3.0], [-3.0]], np.float32)
assign = bin_mapper.assign(pcoords)
assert list(assign) == [0, 1, 3, 2, 7, 2, 3, 2]
assign = bin_mapper.assign(pcoords)
assert list(assign) == [0, 1, 3, 2, 7, 2, 3, 2]
def test_create_mapper(self):
bin_mapper = WExploreBinMapper([2, 3, 3], [4.0, 2.0, 1.0], dfunc)
assert bin_mapper.n_levels == 3
assert bin_mapper.nbins == 0
assert bin_mapper.max_nbins == 18
def test_add_bin_distance(self):
bin_mapper = WExploreBinMapper([2, 2, 2], [4.0, 2.0, 1.0], dfunc)
bin_mapper.centers = [[0.0]]
bin_mapper.add_bin(None, 0)
pcoords = np.array([[0.0], [4.1], [5.1]], np.float32)
assign = bin_mapper.assign(pcoords, add_bins=True)
assert list(assign) == [0, 0, 0]
assert bin_mapper.nbins == 2
assign = bin_mapper.assign(pcoords)
assert list(assign) == [0, 1, 1]
#---------
pcoords = np.array([[0.0], [0.9], [9.5]], np.float32)
assign = bin_mapper.assign(pcoords, add_bins=True)
assert list(assign) == [0, 0, 1]
assert bin_mapper.nbins == 3
assign = bin_mapper.assign(pcoords)
assert list(assign) == [0, 0, 2]
#---------
pcoords = np.array([[1.2], [10.6]], np.float32)
assign = bin_mapper.assign(pcoords, add_bins=True)
assert list(assign) == [0, 2]
assert bin_mapper.nbins == 5
assign = bin_mapper.assign(pcoords)
assert list(assign) == [3, 4]
def test_assign_1D(self):
bin_mapper = WExploreBinMapper([2, 2, 2], [4.0, 2.0, 1.0], dfunc)
bin_mapper.centers = [[-1.0], [1.0], [-2.0], [2.0], [10.0]]
bin_mapper.add_bin(None, 0)
bin_mapper.add_bin(None, 1)
for node in bin_mapper.level_indices[0]:
cix = bin_mapper.bin_graph.node[node]['center_ix']
if bin_mapper.centers[cix][0] > 0:
bin_mapper.add_bin(node, 3)
else:
bin_mapper.add_bin(node, 2)
for nix in [1, 4, 6, 8]:
bin_mapper.add_bin(nix, 4)
pcoords = np.array(
[[-1.0], [1.0], [2.0], [-2.0], [10.0], [-10.0], [3.0], [-3.0]],
np.float32)
assign = bin_mapper.assign(pcoords)
assert list(assign) == [0, 1, 3, 2, 7, 2, 3, 2]
assign = bin_mapper.assign(pcoords)
assert list(assign) == [0, 1, 3, 2, 7, 2, 3, 2]
