def make9of100ternaxes(ellabels=['A', 'B', 'C', 'D'], fig=None):
if fig is None:
fig = pylab.figure(figsize=(8, 6))
axl = []
for i in [1, 4, 7, 2, 5, 8, 3, 6, 9]:
axl += [fig.add_subplot(3, 3, i)]
fig.subplots_adjust(left=0.05,
right=.8,
bottom=.05,
top=.95,
hspace=.08,
wspace=.08)
stpl = []
xpos = [.27] * 9
for count, (ax, xp) in enumerate(zip(axl, xpos)):
stp = TernaryPlot(ax, ellabels=ellabels[:3], offset=.03)
stp.label(fontsize=15) #,fontdict={'fontname':'Times New Roman'})
stpl += [stp]
#if count<4:
stp.ax.text(xp,
.8,
'%s$_{%.2f}$' % (ellabels[3], (count * .01)),
ha='right',
va='center',
fontsize=15)
#else:
# stp.ax.text(xp, .8, '%s$_{%.2f-%d}$' %(ellabels[3], (count*.2), 1), ha='right', va='center', fontsize=17)
return axl, stpl
def make10ternaxes(ellabels=['A', 'B', 'C', 'D']):
ax_xc=[]
ax_yc=[]
xcdel=[.22, .2, .1, .04, .04, .04, .03, .03, .03, .03]
ax_yc=[.5, .6, .36, .65, .49, .33, .68, .55, .43, .31, .2]
for i in range(10):
if i==0:
ax_xc+=[xcdel[i]]
else:
ax_xc+=[ax_xc[-1]+xcdel[i]]
#ax_yc+=[.5+((i%2)*2.-1.)*((i>0)*.1+.072*i/10)]
shape1=numpy.array([.35, 1.])
fig=pylab.figure(figsize=(12, 8))
axl=[]
for i, xc, yc in zip(range(1, 11), ax_xc, ax_yc):
w, l=shape1/i
axl+=[fig.add_axes([xc-w/2, yc-l/2, w, l])]
stpl=[]
for count, ax in enumerate(axl):
stp=TernaryPlot(ax, ellabels=ellabels[:3])
stp.label()
stpl+=[stp]
if count<9:
stp.ax.text(.3, .8, '%s$_{%.2f-%.2f}$' %(ellabels[3], (count*.1), ((count+1)*.1)-.01), ha='right', va='center')
else:
stp.ax.text(.3, .8, '%s$_{%.2f-%d}$' %(ellabels[3], (count*.1), 1), ha='right', va='center')
return axl, stpl
def make30ternaxes(ellabels=['A', 'B', 'C', 'D'], fig=None):
if fig is None:
fig = pylab.figure(figsize=(14, 8))
axl = []
delw = .02
delh = .04
yscalefct = [1.] * 6 #[.7, .7, .7, .7, .7, .7]
xscalefct = [1., .9, .67, .67, .67, .67]
npercol = numpy.array([3, 4, 5, 6, 6, 6])
colw = (1. / npercol)
colw[0] *= .85
colw[1] *= .9
colw = (colw / colw.sum()) * (.9 - len(npercol) * delw)
#colw/=colw.sum()
plotcount = 0
cumwidth = 0
for nc, cw, xsf, ysf in zip(npercol, colw, xscalefct, yscalefct):
w = xsf * cw
h = ysf * ((1. - delh * (nc + 1)) / nc)
cumwidth += cw + delw
for ic in range(nc):
axl += [
fig.add_axes([
cumwidth - cw / 2. - w / 2.,
1. - (delh + ic * (h + delh)) - h, w, h
])
]
stpl = []
xpos = [.27] * 30
# xpos[0:3]=[.35, .29, .28]
# xpos[-1]=.26
for count, (ax, xp) in enumerate(zip(axl, xpos)):
stp = TernaryPlot(ax, ellabels=ellabels[:3], offset=.03)
stp.label(fontsize=15) #,fontdict={'fontname':'Times New Roman'})
stpl += [stp]
if count < 29:
stp.ax.text(xp,
.8,
'%s$_{%.2f}$' % (ellabels[3], (count * .0333)),
ha='right',
va='center',
fontsize=17)
else:
stp.ax.text(xp,
.8,
'%s$_{%.2f-%d}$' % (ellabels[3], (count * .0333), 1),
ha='right',
va='center',
fontsize=17)
return axl, stpl
def make10ternaxes(ellabels=['A', 'B', 'C', 'D'], fig=None, fontsize=17):
if fig is None:
fig = pylab.figure(figsize=(12, 8))
ax_xc = []
ax_yc = []
xcdel = [.18, .19, .065, .1, .04, .05, .055, .03, .02, .02]
ax_yc = [.49, .68, .30, .74, .48, .24, .78, .58, .39, .21]
for i in range(10):
if i == 0:
ax_xc += [xcdel[i]]
else:
ax_xc += [ax_xc[-1] + xcdel[i]]
#ax_yc+=[.5+((i%2)*2.-1.)*((i>0)*.1+.072*i/10)]
shape1 = numpy.array([.35, 1.])
scales = [.82, 0.51, 0.39, 0.3, 0.22, 0.2, 0.17, 0.14, 0.11, 0.09]
axl = []
for sc, xc, yc in zip(scales, ax_xc, ax_yc):
w, l = shape1 * sc
axl += [fig.add_axes([xc - w / 2, yc - l / 2, w, l])]
stpl = []
xpos = [.27] * 10
xpos[0:3] = [.38, .36, .33]
xpos[-1] = .18
for count, (ax, xp) in enumerate(zip(axl, xpos)):
stp = TernaryPlot(ax, ellabels=ellabels[:3], offset=.03)
if not fontsize is None:
stp.label(
fontsize=fontsize) #,fontdict={'fontname':'Times New Roman'})
stpl += [stp]
if not fontsize is None:
if count < 9:
stp.ax.text(xp,
.8,
'%s$_{%.2f-%.2f}$' % (ellabels[3], (count * .1),
((count + 1) * .1) - .01),
ha='right',
va='center',
fontsize=fontsize)
else:
stp.ax.text(xp,
.8,
'%s$_{%.2f-%d}$' % (ellabels[3], (count * .1), 1),
ha='right',
va='center',
fontsize=fontsize)
return axl, stpl
def make4ternaxes(ellabels=['A', 'B', 'C', 'D'], fig=None):
if fig is None:
fig = pylab.figure(figsize=(12, 5))
w = .21
h = .9
axl = []
for i in range(4):
axl += [fig.add_axes([.02 + i * (w + .01), (1. - h) / 2., w, h])]
stpl = []
for i, ax in zip([3, 2, 1, 0], axl):
eltemp = copy.copy(ellabels)
eltemp.pop(i)
stp = TernaryPlot(ax, ellabels=eltemp)
stp.label()
stpl += [stp]
return axl, stpl
def make4ternaxes(ellabels=['A', 'B', 'C', 'D'], fig=None):
if fig is None:
fig=pylab.figure(figsize=(12, 5))
w=.21
h=.9
axl=[]
for i in range(4):
axl+=[fig.add_axes([.02+i*(w+.01), (1.-h)/2., w, h])]
stpl=[]
for i, ax in zip([3, 2, 1, 0], axl):
eltemp=copy.copy(ellabels)
eltemp.pop(i)
stp=TernaryPlot(ax, ellabels=eltemp)
stp.label()
stpl+=[stp]
return axl, stpl
def make20ternaxes(ellabels=['A', 'B', 'C', 'D'], fig=None):
if fig is None:
fig=pylab.figure(figsize=(9, 8))
axl=[]
delw=.02
delh=.04
yscalefct=[1.]*4#[.7, .7, .7, .7, .7, .7]
xscalefct=[1., .9, .67, .67, .67]
npercol=numpy.array([3,4,6,7])
colw=(1./npercol)
colw[0]*=.85
colw[1]*=.9
colw=(colw/colw.sum())*(.85-len(npercol)*delw)
#colw/=colw.sum()
plotcount=0
cumwidth=0
for nc, cw, xsf, ysf in zip(npercol, colw, xscalefct, yscalefct):
w=xsf*cw
h=ysf*((1.-delh*(nc+1))/nc)
cumwidth+=cw+delw
for ic in range(nc):
axl+=[fig.add_axes([cumwidth-cw/2.-w/2., 1.-(delh+ic*(h+delh))-h, w, h])]
stpl=[]
xpos=[.27]*20
# xpos[0:3]=[.35, .29, .28]
# xpos[-1]=.26
for count, (ax, xp) in enumerate(zip(axl, xpos)):
stp=TernaryPlot(ax, ellabels=ellabels[:3], offset=.03)
stp.label(fontsize=15)#,fontdict={'fontname':'Times New Roman'})
stpl+=[stp]
if count<19:
stp.ax.text(xp, .8, '%s$_{%.2f}$' %(ellabels[3], (count*.05)), ha='right', va='center', fontsize=17)
else:
stp.ax.text(xp, .8, '%s$_{%.2f-%d}$' %(ellabels[3], (count*.05), 1), ha='right', va='center', fontsize=17)
return axl, stpl
def make10ternaxes(ellabels=['A', 'B', 'C', 'D'], fig=None, fontsize=17):
if fig is None:
fig=pylab.figure(figsize=(12, 8))
ax_xc=[]
ax_yc=[]
xcdel=[.18, .19, .065, .1, .04, .05, .055, .03, .02, .02]
ax_yc=[.49, .68, .30, .74, .48, .24, .78, .58, .39, .21]
for i in range(10):
if i==0:
ax_xc+=[xcdel[i]]
else:
ax_xc+=[ax_xc[-1]+xcdel[i]]
#ax_yc+=[.5+((i%2)*2.-1.)*((i>0)*.1+.072*i/10)]
shape1=numpy.array([.35, 1.])
scales=[.82, 0.51, 0.39, 0.3, 0.22, 0.2, 0.17, 0.14, 0.11, 0.09]
axl=[]
for sc, xc, yc in zip(scales, ax_xc, ax_yc):
w, l=shape1*sc
axl+=[fig.add_axes([xc-w/2, yc-l/2, w, l])]
stpl=[]
xpos=[.27]*10
xpos[0:3]=[.38, .36, .33]
xpos[-1]=.18
for count, (ax, xp) in enumerate(zip(axl, xpos)):
stp=TernaryPlot(ax, ellabels=ellabels[:3], offset=.03)
if not fontsize is None:
stp.label(fontsize=fontsize)#,fontdict={'fontname':'Times New Roman'})
stpl+=[stp]
if not fontsize is None:
if count<9:
stp.ax.text(xp, .8, '%s$_{%.2f-%.2f}$' %(ellabels[3], (count*.1), ((count+1)*.1)-.01), ha='right', va='center', fontsize=fontsize)
else:
stp.ax.text(xp, .8, '%s$_{%.2f-%d}$' %(ellabels[3], (count*.1), 1), ha='right', va='center', fontsize=fontsize)
return axl, stpl
def make10ternaxes(ellabels=['A', 'B', 'C', 'D'], fig=None):
if fig is None:
fig=pylab.figure(figsize=(12, 8))
ax_xc=[]
ax_yc=[]
xcdel=[.22, .19, .1, .04, .04, .05, .03, .03, .03, .03]
ax_yc=[.5, .6, .36, .65, .49, .33, .67, .55, .445, .32]
for i in range(10):
if i==0:
ax_xc+=[xcdel[i]]
else:
ax_xc+=[ax_xc[-1]+xcdel[i]]
#ax_yc+=[.5+((i%2)*2.-1.)*((i>0)*.1+.072*i/10)]
shape1=numpy.array([.35, 1.])
axl=[]
for i, xc, yc in zip(range(1, 11), ax_xc, ax_yc):
w, l=shape1/i
axl+=[fig.add_axes([xc-w/2, yc-l/2, w, l])]
stpl=[]
xpos=[.27]*10
xpos[0:3]=[.35, .29, .28]
xpos[-1]=.26
for count, (ax, xp) in enumerate(zip(axl, xpos)):
stp=TernaryPlot(ax, ellabels=ellabels[:3], offset=.03)
stp.label(fontsize=17)#,fontdict={'fontname':'Times New Roman'})
stpl+=[stp]
if count<9:
stp.ax.text(xp, .8, '%s$_{%.2f-%.2f}$' %(ellabels[3], (count*.1), ((count+1)*.1)-.01), ha='right', va='center', fontsize=17)
else:
stp.ax.text(xp, .8, '%s$_{%.2f-%d}$' %(ellabels[3], (count*.1), 1), ha='right', va='center', fontsize=17)
return axl, stpl
def make9of100ternaxes(ellabels=['A', 'B', 'C', 'D'], fig=None):
if fig is None:
fig=pylab.figure(figsize=(8, 6))
axl=[]
for i in [1, 4, 7, 2, 5, 8, 3, 6, 9]:
axl+=[fig.add_subplot(3, 3, i)]
fig.subplots_adjust(left=0.05, right=.8, bottom=.05, top=.95, hspace=.08, wspace=.08)
stpl=[]
xpos=[.27]*9
for count, (ax, xp) in enumerate(zip(axl, xpos)):
stp=TernaryPlot(ax, ellabels=ellabels[:3], offset=.03)
stp.label(fontsize=15)#,fontdict={'fontname':'Times New Roman'})
stpl+=[stp]
#if count<4:
stp.ax.text(xp, .8, '%s$_{%.2f}$' %(ellabels[3], (count*.01)), ha='right', va='center', fontsize=15)
#else:
# stp.ax.text(xp, .8, '%s$_{%.2f-%d}$' %(ellabels[3], (count*.2), 1), ha='right', va='center', fontsize=17)
return axl, stpl
from myternaryutility import TernaryPlot import matplotlib.cm as cm import numpy import pylab, copy from colorsys import rgb_to_hsv from colorsys import hsv_to_rgb pylab.figure(figsize=(6, 3)) ax=pylab.gca() #stp = TernaryPlot(ax, ellabels=['Au', 'Cu', 'Si']) stp = TernaryPlot(ax, ellabels=['A', 'B', 'C']) stp.grid(nintervals=10, printticklabels=[4]) stp.label(fontsize=12) comps=numpy.random.rand(50, 3) comps/=comps.sum(axis=1)[:, numpy.newaxis] #compdist=(numpy.random.rand(len(comps), 3)-0.5)/5 comps2=copy.copy(comps) comps2[:, 2]+=.5 comps2/=comps2.sum(axis=1)[:, numpy.newaxis] #compsdiff=comps2-comps # #terncoord=numpy.float64(comps) #terncoord2=numpy.float64(comps2) # # # #sat = ((compsdiff**2).sum(axis=1)/2.)**.5 #
Y = cmp.values / 100
#define subset Xsubset, Ysubset that is fed to the GPR model
#and Xfit where fitting is done
x = np.linspace(np.min(X[:, 0]), np.max(X[:, 0]), 50)
y = np.linspace(np.min(X[:, 1]), np.max(X[:, 1]), 50)
xv, yv = np.meshgrid(x, y)
Xfit_ = np.array([xv.flatten(), yv.flatten()])
idx = []
for i in range(len(Xfit_.T)):
if is_in_hull(Xfit_[:, i], X):
idx.append(i)
Xfit = Xfit_[:, idx]
#%% Predict using gaussian process regressor
kernel = RBF([1.0]) + WhiteKernel(noise_level=0.0336)
gpr = GaussianProcessRegressor(kernel=kernel)
gpr.fit(Xsubset, Ysubset)
Ygpr, Ystd = gpr.predict(Xfit.T, return_std=True)
#%% plot predictions
ax = pylab.gca()
stp = TernaryPlot(ax, ellabels=cmp.columns)
x, y = stp.toCart(Ygpr)
plt.scatter(x, y, s=10, c=Ystd)
stp.label(fontsize=16)
plt.colorbar()
plt.show()
data=[(cell, xv, yv, zv,0., cv) for cell, xv, yv, zv, cv in zip(range(1,26),x, y, z, comp) if len(zv)>0] cells=numpy.array(map(operator.itemgetter(0), data)) enth=map(operator.itemgetter(1), data) coolrate=map(operator.itemgetter(2), data) za=numpy.array(map(operator.itemgetter(3), data)) garb=numpy.float32(map(operator.itemgetter(4), data)) ca=numpy.array(map(operator.itemgetter(5), data)) title=r'Film thickness (nm)' #********start ternary plotting pylab.figure(figsize=(10, 6)) ax=pylab.subplot(111) ##stp = TernaryPlot(ax, ellabels=['Au', 'Si', 'Cu']) stp = TernaryPlot(ax, ellabels=['Au', 'Si', 'Cu'], minlist=[0.47, 0.12, .2]) stp.grid(nintervals=3) stp.label(fontsize=14) #plot za value from above by color stp.scatter(ca, s=80, c=za, label='_', cmap=cm.jet, alpha=1., marker='o') #scatter doesn't work well with legend, so label="_" (hides it); cmap chooses the color scheme; alpha allows some transparency to see overlapping data stp.colorbar(title, fontsize=14) #stp.ax.set_title(title, fontsize=14) #**** ##plot cellnumbers #celllist=[1, 2]+range(4, 21)+[22]+[24, 25] #for selectcell in celllist: # stp.text(comp[selectcell-1], `selectcell`, ha='center', va='center', color='r', fontsize=12)
])
comps = numpy.array([au, cu, si]).T
comps = numpy.array([c / c.sum() for c in comps])
aumin = comps[:, 0].min()
cumin = comps[:, 1].min()
simin = comps[:, 2].min()
pylab.figure(figsize=(6, 3))
ax = pylab.gca()
#stp = TernaryPlot(ax, ellabels=['Au', 'Cu', 'Si'])
stp = TernaryPlot(ax,
ellabels=['Au', 'Cu', 'Si'],
minlist=[aumin, cumin, simin])
stp.grid(nintervals=10, printticklabels=[4])
stp.label(fontsize=12)
stp.colorcompplot(comps, '.', markersize=9)
colors = stp.color_comp_calc(comps)
pylab.figure(figsize=(4, 4))
#pylab.scatter(x, y, c=colors, s=40)
for xv, yv, c in zip(x, y, colors):
pylab.plot([xv], [yv], '.', color=c, ms=12)
pylab.gca().set_aspect(1)
rmax = numpy.max(x**2 + y**2)**.5
rlab = rmax + 1.5
pylab.text(rlab, 0., 'Au', fontsize=12, color='r', ha='center', va='center')
pylab.text(-0.5 * rlab,
-0.5 * 3.**.5 * rlab,
'Cu',
fontsize=12,
#convert the end members and pairs of endpts to cartesian
xy_lineendpairs=[numpy.array(q.toCart(ls)).T for ls in lineendpairs]
xy_endmembers=numpy.array(q.toCart(endmembers)).T
#choose the composition of a phase and draw the trivial phase field lines
phcomp=numpy.array([.5, .3, .2])
q.scatter([phcomp], c='r', s=20)
for i in range(3):
a=copy.copy(z)
a[i]=1.
q.line(a, phcomp, fmt='r-')
# iterate over all 4 phase field triangular boundaries (triangle defined by 3 points, the phase p0 and 2 end members p1,p2) and all 4 composition lines. find intersections
p0=numpy.array(q.toCart([phcomp])).T[0]
xy_intr_dlist=[]
for countends, (p1) in enumerate(xy_endmembers):
for countlines, (l0, l1) in enumerate(xy_lineendpairs):
xy_intr, interbool=interwithinsegs(p0, p1, l0, l1)
if interbool:
xy_intr_dlist+=[dict({}, xy_intr=xy_intr, xy_lineends=(l0, l1), index_endmems=countends, index_lineends=countlines)]
q.scatter(q.toComp([xy_intr]), c='g', s=20)
q.label(fontsize=16)
pylab.show()
xy_lineendpairs = [numpy.array(q.toCart(ls)).T for ls in lineendpairs]
xy_endmembers = numpy.array(q.toCart(endmembers)).T
#choose the composition of a phase and draw the trivial phase field lines
phcomp = numpy.array([.5, .3, .2])
q.scatter([phcomp], c='r', s=20)
for i in range(3):
a = copy.copy(z)
a[i] = 1.
q.line(a, phcomp, fmt='r-')
# iterate over all 4 phase field triangular boundaries (triangle defined by 3 points, the phase p0 and 2 end members p1,p2) and all 4 composition lines. find intersections
p0 = numpy.array(q.toCart([phcomp])).T[0]
xy_intr_dlist = []
for countends, (p1) in enumerate(xy_endmembers):
for countlines, (l0, l1) in enumerate(xy_lineendpairs):
xy_intr, interbool = interwithinsegs(p0, p1, l0, l1)
if interbool:
xy_intr_dlist += [
dict({},
xy_intr=xy_intr,
xy_lineends=(l0, l1),
index_endmems=countends,
index_lineends=countlines)
]
q.scatter(q.toComp([xy_intr]), c='g', s=20)
q.label(fontsize=16)
pylab.show()
