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Commit ba50e221 authored by Giovanni La Mura's avatar Giovanni La Mura
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Use HPC lattice for compact random cluster generation

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src/scripts/model_maker.py
+ 52
− 47
View file @ ba50e221
......@@ -385,17 +385,25 @@ def load_model(model_file):
rnd_engine = "COMPACT"
if (rnd_engine == "COMPACT"):
check = random_compact(sconf, gconf, rnd_seed, max_rad)
if (check == 1):
if (check == -1):
print("ERROR: compact random generator works only when all sphere types have the same radius.")
return (None, None)
elif (check == -2):
print("ERROR: sub-particle radius larger than particle radius.")
return (None, None)
elif (check == -3):
print("ERROR: requested number of spheres cannot fit in allowed volume.")
return (None, None)
elif (rnd_engine == "LOOSE"):
# random_aggregate() checks internally whether application is INCLUSION
check = random_aggregate(sconf, gconf, rnd_seed, max_rad)
else:
print("ERROR: unrecognized random generator engine.")
return (None, None)
if (check != 0):
print("WARNING: %d sphere(s) could not be placed."%check)
if (check != sconf['nsph']):
print("WARNING: placed only %d out of %d requested spheres."%(check, sconf['nsph']))
sconf['nsph'] = check
gconf['nsph'] = check
else:
if (len(model['geometry_settings']['x_coords']) != gconf['nsph']):
print("ERROR: coordinate vectors do not match the number of spheres!")
......@@ -588,15 +596,19 @@ def random_aggregate(scatterer, geometry, seed, max_rad, max_attempts=100):
vec_thetas = [0.0 for i in range(nsph)]
vec_phis = [0.0 for i in range(nsph)]
vec_rads = [0.0 for i in range(nsph)]
vec_types = []
n_types = scatterer['configurations']
if (0 in scatterer['vec_types']):
tincrement = 1 if scatterer['application'] != "INCLUSION" else 2
for ti in range(nsph):
itype = tincrement + int(n_types * random.random())
scatterer['vec_types'][ti] = itype
if (scatterer['application'] == "INCLUSION"):
scatterer['vec_types'][0] = 1
sph_type_index = scatterer['vec_types'][0] - 1
vec_spheres = [{'itype': sph_type_index + 1, 'x': 0.0, 'y': 0.0, 'z': 0.0}]
vec_rads[0] = scatterer['ros'][sph_type_index]
vec_types.append(sph_type_index + 1)
placed_spheres = 1
attempts = 0
for i in range(1, nsph):
......@@ -670,7 +682,9 @@ def random_aggregate(scatterer, geometry, seed, max_rad, max_attempts=100):
})
is_placed = True
placed_spheres += 1
vec_types.append(sph_type_index + 1)
attempts = 0
scatterer['vec_types'] = vec_types
sph_index = 0
for sphere in sorted(vec_spheres, key=lambda item: item['itype']):
scatterer['vec_types'][sph_index] = sphere['itype']
......@@ -678,6 +692,7 @@ def random_aggregate(scatterer, geometry, seed, max_rad, max_attempts=100):
geometry['vec_sph_y'][sph_index] = sphere['y']
geometry['vec_sph_z'][sph_index] = sphere['z']
sph_index += 1
result = placed_spheres
return result
## \brief Generate a random compact cluster from YAML configuration options.
......@@ -700,45 +715,30 @@ def random_compact(scatterer, geometry, seed, max_rad):
random.seed(seed)
nsph = scatterer['nsph']
n_types = scatterer['configurations']
if (0 in scatterer['vec_types']):
tincrement = 1 if scatterer['application'] != "INCLUSION" else 2
for ti in range(nsph):
itype = tincrement + int(n_types * random.random())
scatterer['vec_types'][ti] = itype
radius = scatterer['ros'][0]
# Return an error code if types have different radii
if (max(scatterer['ros']) != min(scatterer['ros'])):
result = 1
result = -1
elif (radius > max_rad):
# Requested spheres are larger than the maximum allowed volume.
# End function with error code -2.
result = -2
else:
radius = scatterer['ros'][0]
x_centers = np.arange(-1.0 * max_rad + radius, max_rad, 2.0 * radius)
y_centers = np.arange(-1.0 * max_rad + radius, max_rad, math.sqrt(3.0) * radius)
z_centers = np.arange(-1.0 * max_rad + radius, max_rad, math.sqrt(3.0) * radius)
x_offset = radius
y_offset = radius
x_layer_offset = radius
y_layer_offset = radius / math.sqrt(3.0)
x_centers = np.arange(-1.0 * max_rad + 2.0 * radius, max_rad, 2.0 * radius)
x_size = len(x_centers)
y_size = int(2.0 * max_rad / ((1.0 + math.sqrt(3.0) / 3.0) * radius))
z_size = int(2.0 * max_rad / ((1.0 + 2.0 * math.sqrt(6.0) / 3.0) * radius))
tmp_spheres = []
n_cells = len(x_centers) * len(y_centers) * len(z_centers)
n_cells = x_size * y_size * z_size
print("INFO: the cubic space would contain %d spheres."%n_cells)
n_max_spheres = int((max_rad / radius) * (max_rad / radius) * (max_rad / radius) * 0.74)
print("INFO: the maximum radius allows for %d spheres."%n_max_spheres)
for zi in range(len(z_centers)):
if (x_layer_offset == 0.0):
x_layer_offset = radius
else:
x_layer_offset = 0.0
if (y_offset == 0.0):
y_offset = radius
else:
y_offset = 0.0
for yi in range(len(y_centers)):
if (x_offset == 0.0):
x_offset = radius
else:
x_offset = 0.0
for xi in range(len(x_centers)):
x = x_centers[xi] + x_offset + x_layer_offset
y = y_centers[yi] + y_offset
z = z_centers[zi]
k = 0
z = -max_rad + radius
while (z < max_rad - radius):
j = 0
y = -max_rad + radius
while (y < max_rad - radius):
for i in range(len(x_centers)):
x = (2 * (i + 1) + (j + k) % 2) * radius - max_rad
extent = radius + math.sqrt(x * x + y * y + z * z)
if (extent < max_rad):
tmp_spheres.append({
......@@ -747,6 +747,11 @@ def random_compact(scatterer, geometry, seed, max_rad):
'y': y,
'z': z
})
#
j += 1
y = math.sqrt(3.0) * (j + (k % 2) / 3.0) * radius - max_rad + radius
k += 1
z = 2.0 / 3.0 * math.sqrt(6.0) * k * radius - max_rad + radius
#tmp_spheres = [{'itype': 1, 'x': 0.0, 'y': 0.0, 'z': 0.0}]
current_n = len(tmp_spheres)
print("INFO: before erosion there are %d spheres in use."%current_n)
......@@ -778,20 +783,20 @@ def random_compact(scatterer, geometry, seed, max_rad):
current_n -= 1
vec_spheres = []
sph_index = 0
# Generate a vector of types if none is given
if (0 in scatterer['vec_types']):
tincrement = 1 if scatterer['application'] != "INCLUSION" else 2
for ti in range(current_n):
itype = tincrement + int(n_types * random.random())
scatterer['vec_types'][ti] = itype
if (scatterer['application'] == "INCLUSION"):
scatterer['vec_types'][0] = 1
for ti in range(len(tmp_spheres)):
sphere = tmp_spheres[ti]
if (sphere['x'] < max_rad):
sphere['itype'] = scatterer['vec_types'][sph_index]
sph_index += 1
vec_spheres.append(sphere)
#pl = pv.Plotter()
#for si in range(len(vec_spheres)):
# x = vec_spheres[si]['x'] / max_rad
# y = vec_spheres[si]['y'] / max_rad
# z = vec_spheres[si]['z'] / max_rad
# mesh = pv.Sphere(radius / max_rad, (x, y, z))
# pl.add_mesh(mesh)
#pl.export_obj("scene.obj")
sph_index = 0
for sphere in sorted(vec_spheres, key=lambda item: item['itype']):
scatterer['vec_types'][sph_index] = sphere['itype']
......@@ -799,7 +804,7 @@ def random_compact(scatterer, geometry, seed, max_rad):
geometry['vec_sph_y'][sph_index] = sphere['y']
geometry['vec_sph_z'][sph_index] = sphere['z']
sph_index += 1
return result
return current_n
## \brief Write the geometry configuration dictionary to legacy format.
#
......
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