def gen_struct_from_hilbert_curve(self, newd):
'''
Generates new structures at the points along the
Hilbert curve given in newd, and returns their
scaled coordinates.
'''
dpar = np.array(self.dparams)
parmin = np.array(self.params) - dpar
ranges = []
[
ranges.append([self.params[i] - dpar[i], self.params[i] + dpar[i]])
for i in range(len(self.params))
]
coordinates = []
for i in range(0, len(newd)):
# interpolate to get the coordingates:
p_ipl = self.hutil.interp_coords_from_dist(newd[i])
# un-scale it and create structure
parnew = np.array(p_ipl)
#par_unscaled = parnew*2*dpar/self.hutil.pmax + parmin
par_unscaled = np.squeeze(
self.hutil.scale_coordinates(parnew, dpar, parmin))
# generate strucure:
news = Structure(self.orig)
pindex = 0
# Layer widths:
for i in range(0, len(self.windex)):
news.layers[self.windex[i]].width = par_unscaled[pindex]
pindex += 1
news.dopings = []
dop_start = 0
dop_step = int(len(self.dopindex) / len(self.orig.dopings))
for d in self.orig.dopings:
# Doping layers:
z0 = d[0]
zend = d[1]
doping = d[2]
center = (z0 + zend) / 2
width = (zend - z0)
sheet = width * doping
zizfdens = [center, width, doping]
dop_end = dop_start + dop_step
for i in range(dop_start, dop_end):
zizfdens[self.dopindex[i]] = par_unscaled[pindex]
pindex += 1
dop_start = dop_end
if (self.doping_mode == doping_modes.get("FOLLOW LAYER SHEET")
or self.doping_mode
== doping_modes.get("FOLLOW LAYER VOLUME")):
layerindex = self.orig.layerIndex(center)
z0 = news.layerPos(layerindex)
zend = z0 + news.layers[layerindex].width
if (self.doping_mode == doping_modes.get(
"FOLLOW LAYER SHEET")):
doping = zizfdens[2] * width / (zend - z0)
else:
doping = zizfdens[2]
else:
z0 = zizfdens[0]
zend = zizfdens[1]
if (self.doping_mode == doping_modes.get(
"FIXED POSITION SHEET")):
doping = zizfdens[2] / width * (zend - z0)
else:
doping = zizfdens[2]
doping = zizfdens[2]
news.addDoping(z0, zend, doping)
# Alloy composition:
tags = []
ptag = []
for i in range(0, len(self.xindex)):
if self.comp_mode == comp_modes.get("UNLINKED"):
news.layers[self.xindex[i]].material.updateAlloy(
par_unscaled[pindex])
pindex += 1
elif self.comp_mode == comp_modes.get("LINKED ALL"):
news.layers[self.xindex[i]].material.updateAlloy(
par_unscaled[pindex])
pass
elif self.comp_mode == comp_modes.get("LINKED LAYERS"):
print("Layers are linked:")
tag = self.tagindex[i]
print("tag = ", tag)
if tag not in tags:
tags.append(tag)
ptag.append(pindex)
else:
pindex = ptag[tags.index(tag)]
print("pindex = ", pindex)
news.layers[self.xindex[i]].material.updateAlloy(
par_unscaled[pindex])
news.layers[self.xindex[i]].material.name += str(tag)
if len(ptag) > 0:
pindex = np.max(ptag) + 1
else:
pindex += 1
if self.width_mode == width_modes.get("MONOLAYER"):
news.convert_to_ML()
if self.strain_mode == strain_modes.get("COMPENSATE X"):
news.compensate_strain()
self.structures.append(news)
coordinates.append(parnew)
return coordinates
def generateStructure(self, params):
# generate strucure:
news = Structure(self.orig)
pindex = 0
# Layer widths:
for i in range(0,len(self.windex)):
news.layers[self.windex[i]].width = params[pindex]
pindex+=1
news.dopings = []
dop_start = 0
dop_step = int(len(self.dopindex)/len(self.orig.dopings))
for d in self.orig.dopings:
# Doping layers:
z0 = d[0]
zend = d[1]
doping = d[2]
center = (z0 + zend)/2
width = (zend - z0)
sheet = width*doping
zizfdens = [center, width, doping]
dop_end = dop_start + dop_step
for i in range(dop_start,dop_end):
zizfdens[self.dopindex[i]] = params[pindex]
pindex +=1
dop_start = dop_end
if (self.doping_mode == doping_modes.get("FOLLOW LAYER SHEET") or
self.doping_mode == doping_modes.get("FOLLOW LAYER VOLUME")):
layerindex = self.orig.layerIndex(center)
z0 = news.layerPos(layerindex)
zend = z0 + news.layers[layerindex].width
if (self.doping_mode == doping_modes.get("FOLLOW LAYER SHEET") ):
doping = zizfdens[2]*width/(zend-z0)
else:
doping = zizfdens[2]
else:
z0 = zizfdens[0]
zend = zizfdens[1]
if (self.doping_mode == doping_modes.get("FIXED POSITION SHEET") ):
doping = zizfdens[2]/width*(zend-z0)
else:
doping = zizfdens[2]
doping = zizfdens[2]
news.addDoping(z0,zend,doping)
# Alloy composition:
tags = []
ptag = []
for i in range(0,len(self.xindex)):
if self.comp_mode == comp_modes.get("UNLINKED"):
news.layers[self.xindex[i]].material.updateAlloy(params[pindex])
pindex +=1
elif self.comp_mode == comp_modes.get("LINKED ALL"):
news.layers[self.xindex[i]].material.updateAlloy(params[pindex])
pass
elif self.comp_mode == comp_modes.get("LINKED LAYERS"):
print("Layers are linked:")
tag = self.tagindex[i]
print("tag = ", tag)
if tag not in tags:
tags.append(tag)
ptag.append(pindex)
else:
pindex = ptag[tags.index(tag)]
print("pindex = ", pindex)
news.layers[self.xindex[i]].material.updateAlloy(params[pindex])
news.layers[self.xindex[i]].material.name += str(tag)
if len(ptag) > 0:
pindex = np.max(ptag) + 1
else:
pindex += 1
if self.width_mode == width_modes.get("MONOLAYER"):
news.convert_to_ML()
if self.strain_mode == strain_modes.get("COMPENSATE X"):
news.compensate_strain()
return news
def genRanStructs(self, N):
"""
Generate N structures with random variations in layer widths.
Doping modes "FOLLOW LAYER SHEET/VOLUME" assume that doping
covers entire layer width.
Doping modes "FIXED WIDTH SHEET/VOLUME" changes doping pos.
independently of layer widths.
TODO: Change compositions!
"""
for _ in range(0, N):
news = Structure(self.orig)
for il in range(len(self.dw)):
w0 = self.orig.layers[il].width
width = w0 + 2 * (random.random() - 0.5) * self.dw[il]
news.layers[il].width = width
news.dopings = []
for dl in self.orig.dopings:
zc = (dl[0] + dl[1]) / 2
layerindex = self.orig.layerIndex(zc)
sheet = self.orig.layers[layerindex].width * dl[2]
if (self.doping_mode == doping_modes.get("FOLLOW LAYER SHEET")
or self.doping_mode
== doping_modes.get("FOLLOW LAYER VOLUME")):
zi = 0
zf = news.layers[layerindex].width
if self.doping_mode == doping_modes.get(
"FOLLOW LAYER SHEET"):
dopdens = sheet / news.layers[layerindex].width
else:
dopdens = dl[2]
dopdens = dopdens + 2 * (random.random() -
0.5) * self.ddop[2]
else:
dzc = zc - self.orig.layerPos(layerindex)
# define new offset from layer start
dzc = dzc + 2 * (random.random() - 0.5) * self.ddop[0]
dopw = (dl[1] -
dl[0]) + 2 * (random.random() - 0.5) * self.ddop[1]
# add new doping layer
zi = dzc - dopw / 2
zf = dzc + dopw / 2
if self.doping_mode == doping_modes.get(
"FIXED POSITION SHEET"):
dopdens = sheet / (zf - zi)
else:
dopdens = dl[2]
dopdens = dopdens + 2 * (random.random() -
0.5) * self.ddop[2]
news.addDoping(zi, zf, dopdens, layerindex)
if self.strain_mode == strain_modes.get("COMPENSATE X"):
news.compensate_strain()
self.structures.append(news)
del news