stpq.line(compverts[0], compverts[1], lw=2)
#stpq.scatter(comps[selectinds], pointsize
stpq.set_projection(azim=view_azim, elev=view_elev)
stpq.label(fontsize=20)
pylab.savefig(os.path.join(savefolder, 'QuatPoints.png'))
pylab.figure()
for k, v in dropd.iteritems():
# if k in elkeys or k in ellabels or k in ['Sample', 'x(mm)', 'y(mm)', 'compositions']:
# continue
pylab.clf()
ax=pylab.subplot(111)
fomselect=v[selectinds]
stpq.plotfomalonglineparameter(ax, lineparameter, fomselect, compend1=compverts[0], compend2=compverts[1], lineparticks=numpy.linspace(0, 1, 5), ls='none', marker='.', ticklabelkwargdict=dict([('rotation', -20), ('horizontalalignment', 'left')]))
pylab.ylabel(k)
pylab.subplots_adjust(bottom=.15, left=.15, right=.8)
pylab.savefig(os.path.join(savefolder, k+'.png'))
pylab.clf()
ax=pylab.subplot(111)
for k, c, l, vsh in [('CP5Eave', 'b', '1 mA/cm$^2$', -(.187-.044)), ('CP4Eave', 'g', '10 mA/cm$^2$', -(.187-.044)), ('CP6Eave', 'r', '19 mA/cm$^2$', -(.187-.048))]:
fomselect=(vsh+dropd[k][selectinds])*1000.
stpq.plotfomalonglineparameter(ax, lineparameter, fomselect, compend1=compverts[0], compend2=compverts[1], lineparticks=numpy.linspace(0, 1, 5), ls='none', marker='.', color=c, label=l, ticklabelkwargdict=dict([('rotation', -20), ('horizontalalignment', 'left')]))
pylab.legend(loc=3)
pylab.ylabel('OER overpotential (mV)')
pylab.subplots_adjust(bottom=.15, left=.15, right=.8)
pylab.savefig(os.path.join(savefolder, 'AllCP.png'))
if calctype==0:
selectinds, distfromlin, lineparameter=quatx.filterbydistancefromline(compsall[code0inds], compverts[0], compverts[1], critdist, betweenpoints=betweenbool, invlogic=invertbool, returnall=True)
lineparameter=lineparameter[selectinds]
elif calctype==1:
selectinds, distfromplane, xyparr, xyp_verts,intriangle=quatx.filterbydistancefromplane(compsall[code0inds], compverts[0], compverts[1], compverts[2], critdist, withintriangle=betweenbool, invlogic=invertbool, returnall=True)
xyparr=xyparr[selectinds]
fomselectx=fomall[code0inds][selectinds]
compsselectx=compsall[code0inds][selectinds]
xsecfig=pylab.figure()
xsecax=pylab.subplot(111)
if calctype==0:
quatx.line(compverts[0], compverts[1])
quatx.plotfomalonglineparameter(xsecax, lineparameter, fomselectx, compend1=compverts[0], compend2=compverts[1], lineparticks=numpy.linspace(0, 1, 4), ls='none', marker='.')
elif calctype==1:
quatx.plotfominselectedplane(xsecax, xyparr, fomselectx, xyp_verts=xyp_verts, vertcomps_labels=[compverts[0], compverts[1], compverts[2]], s=20, edgecolor='none', cmap=cmap, norm=norm)
quatx.line(compverts[0], compverts[1])
quatx.line(compverts[0], compverts[2])
quatx.line(compverts[2], compverts[1])
quatx.scatter(compsselectx, c=fomselectx, s=20, cmap=cmap, norm=norm, edgecolor='none')#vmin=vmin, vmax=vmax,
cb=quatxfig.colorbar(quatx.mappable, cax=cbax, extend=extend, cmap=cmap, norm=norm)
cb.set_label(fomlabel, fontsize=18)
quatx.set_projection(azim=view_azim, elev=view_elev)
if SYSTEM==1:
axbin.set_ylim(.23, .7)
if SYSTEM==6:
axbin.set_ylim(.38, .5)
class quatsliceDialog(QDialog):
def __init__(self, parent, echem30_select, echem30_all, title="", folderpath=None, ellabels=["A", "B", "C", "D"]):
super(quatsliceDialog, self).__init__(parent)
self.parent = parent
self.echem30_select = echem30_select
self.echem30_all = echem30_all
self.ellabels = ellabels
self.dataclass = fomdatapreset()
self.plotw_quat = plotwidget(self, projection3d=True)
self.plotw_tern = plotwidget(self)
axrect = [0.85, 0.1, 0.04, 0.8]
self.plotw_tern.fig.subplots_adjust(left=0.1, right=axrect[0] - 0.08)
self.cbax_tern = self.plotw_tern.fig.add_axes(axrect)
QObject.connect(self.plotw_tern, SIGNAL("genericclickonplot"), self.ternclickprocess)
self.plotw_quat.fig.subplots_adjust(left=0, right=axrect[0] - 0.08)
self.cbax_quat = self.plotw_quat.fig.add_axes(axrect)
ternskipComboBoxLabel = QLabel()
ternskipComboBoxLabel.setText("Exclude for ternary:")
self.ternskipComboBox = QComboBox()
for i, l in enumerate(["A", "B", "C", "D"]):
self.ternskipComboBox.insertItem(i, l)
self.ternskipComboBox.setCurrentIndex(i)
ternskiplayout = QHBoxLayout()
ternskiplayout.addWidget(ternskipComboBoxLabel)
ternskiplayout.addWidget(self.ternskipComboBox)
self.compcutComboBox = QComboBox()
for i, nam in enumerate(["1-D (pseudobinary)", "2-D (pseudoternnary)"]):
self.compcutComboBox.insertItem(i, nam)
self.compcutComboBox.setCurrentIndex(0)
self.systemsComboBox = QComboBox()
self.systemsinds = [-1, 0]
self.systemsComboBox.insertItem(999, "select files")
self.systemsComboBox.insertItem(999, "update style")
for ind, nam in self.dataclass.systemoptions:
self.systemsComboBox.insertItem(999, nam)
self.systemsinds += [ind]
self.systemsComboBox.setCurrentIndex(0)
sl = ["0.", "0.", "1.", "0.", "0.", "0."]
self.complineeditlist = []
for i in range(3):
self.complineeditlist += [QLineEdit()]
self.complineeditlist[-1].setText(", ".join(sl[2 - i : 2 - i + 4]))
compLabel = QLabel()
compLabel.setText("Composition points")
folderButton = QPushButton()
folderButton.setText("select\nfolder")
QObject.connect(folderButton, SIGNAL("pressed()"), self.selectfolder)
plotButton = QPushButton()
plotButton.setText("update\nfigures")
QObject.connect(plotButton, SIGNAL("pressed()"), self.calcandplot)
saveButton = QPushButton()
saveButton.setText("Save figs\n+ Samples")
QObject.connect(saveButton, SIGNAL("pressed()"), self.save)
templab = QLabel()
templab.setText("Crit Comp. Dist")
self.critdistSpinBox = QDoubleSpinBox()
self.critdistSpinBox.setDecimals(3)
critdistlayout = QHBoxLayout()
critdistlayout.addWidget(templab)
critdistlayout.addWidget(self.critdistSpinBox)
self.compboundCheckBox = QCheckBox()
self.compboundCheckBox.setText("restrict composition\nselection boundaries")
self.invertCheckBox = QCheckBox()
self.invertCheckBox.setText("invert selection")
self.revcmapCheckBox = QCheckBox()
self.revcmapCheckBox.setText("reverse cmap?")
templab = QLabel()
templab.setText("min,max colorbar")
self.vminmaxLineEdit = QLineEdit()
vminmaxlayout = QVBoxLayout()
vminmaxlayout.addWidget(templab)
vminmaxlayout.addWidget(self.vminmaxLineEdit)
templab = QLabel()
templab.setText("azim,elev tetr.")
self.azimelevLineEdit = QLineEdit()
azimelevlayout = QVBoxLayout()
azimelevlayout.addWidget(templab)
azimelevlayout.addWidget(self.azimelevLineEdit)
self.azimelevLineEdit.setText("-159,30")
templab = QLabel()
templab.setText('below,above range colors:\nEnter a char,0-1 gray,tuple,\n"None" for ignore')
self.aboverangecolLineEdit = QLineEdit()
self.aboverangecolLineEdit.setText("k")
self.belowrangecolLineEdit = QLineEdit()
self.belowrangecolLineEdit.setText("0.9")
outrangecollayout = QGridLayout()
outrangecollayout.addWidget(templab, 0, 0, 2, 1)
outrangecollayout.addWidget(self.belowrangecolLineEdit, 0, 1)
outrangecollayout.addWidget(self.aboverangecolLineEdit, 1, 1)
templab = QLabel()
templab.setText("FOM shift:")
self.fomshiftSpinBox = QDoubleSpinBox()
self.fomshiftSpinBox.setDecimals(3)
fomshiftlayout = QHBoxLayout()
fomshiftlayout.addWidget(templab)
fomshiftlayout.addWidget(self.fomshiftSpinBox)
templab = QLabel()
templab.setText("FOM scaling:")
self.fomscaleSpinBox = QDoubleSpinBox()
self.fomscaleSpinBox.setMaximum(1000.0)
self.fomscaleSpinBox.setMinimum(-1000.0)
self.fomscaleSpinBox.setValue(1.0)
fomscalelayout = QHBoxLayout()
fomscalelayout.addWidget(templab)
fomscalelayout.addWidget(self.fomscaleSpinBox)
mainlayout = QGridLayout()
ctrllayout = QGridLayout()
ctrllayout.addWidget(plotButton, 0, 0)
ctrllayout.addWidget(self.compcutComboBox, 0, 1)
ctrllayout.addWidget(saveButton, 0, 2)
ctrllayout.addWidget(self.systemsComboBox, 0, 3)
ctrllayout.addWidget(compLabel, 1, 0)
ctrllayout.addWidget(self.complineeditlist[0], 1, 1)
ctrllayout.addWidget(self.complineeditlist[1], 1, 2)
ctrllayout.addWidget(self.complineeditlist[2], 1, 3)
ctrllayout.addWidget(self.compboundCheckBox, 2, 0)
ctrllayout.addWidget(self.invertCheckBox, 2, 1)
ctrllayout.addLayout(critdistlayout, 2, 2, 1, 2)
ctrllayout.addWidget(self.revcmapCheckBox, 3, 0)
ctrllayout.addLayout(vminmaxlayout, 3, 1)
ctrllayout.addLayout(outrangecollayout, 3, 2, 1, 2)
ctrllayout.addLayout(ternskiplayout, 4, 0)
# ctrllayout.addLayout(fomshiftlayout, 4, 1)
# ctrllayout.addLayout(fomscalelayout, 4, 2)
ctrllayout.addLayout(azimelevlayout, 4, 1, 1, 2)
mainlayout.addLayout(ctrllayout, 0, 0, 2, 1)
mainlayout.addWidget(self.plotw_quat, 3, 0)
mainlayout.addWidget(self.plotw_tern, 4, 0)
# mainlayout.addWidget(self.plotw_30select, 0, 1, 2, 8)
# mainlayout.addWidget(self.plotw_30all, 2, 1, 2, 8)
self.setLayout(mainlayout)
self.folderpath = folderpath
self.ternskipComboBox.clear()
for i, l in enumerate(self.ellabels):
self.ternskipComboBox.insertItem(i, l)
self.ternskipComboBox.setCurrentIndex(3)
self.selectsystem = None
self.quatcalc = QuaternaryPlot(111, ellabels=self.ellabels)
self.resize(600, 850)
def selectfolder(self, folder=None):
if folder is None:
self.folderpath = mygetdir(self, markstr="for saving")
else:
self.folderpath = folder
def calcandplot(self):
print "0"
i = self.systemsinds[self.systemsComboBox.currentIndex()]
if self.selectsystem is None or i == -1 or (i != 0 and i != self.selectsystem):
self.selectsystem = i
self.dataclass.readdata(self.selectsystem, qparent=self)
self.comps = self.dataclass.compsall
self.fom = self.dataclass.fomall
self.smp = self.dataclass.smpsall
self.code = self.dataclass.codeall
# self.codeorig=self.dataclass.codeorig
# self.smpsorig=self.dataclass.smpsorig
self.ellabels = self.dataclass.ellabels
self.vminmaxLineEdit.setText(` self.dataclass.vmin ` + "," + ` self.dataclass.vmax `)
for le, v in zip(
[self.belowrangecolLineEdit, self.aboverangecolLineEdit],
[self.dataclass.belowrangecolstr, self.dataclass.aboverangecolstr],
):
le.setText(` v `)
i0 = self.ternskipComboBox.currentIndex()
self.ternskipComboBox.clear()
for i, l in enumerate(self.ellabels):
self.ternskipComboBox.insertItem(i, l)
self.ternskipComboBox.setCurrentIndex(i0)
self.calctype = self.compcutComboBox.currentIndex()
critdist = self.critdistSpinBox.value()
print "1"
self.compverts = []
for i in range(2 + self.calctype):
sl = str(self.complineeditlist[i].text()).split(",")
c = [myeval(s.strip()) for s in sl]
c = c[:4]
c += [0.0] * (4 - len(c))
c = numpy.float64(c)
c /= c.sum()
self.compverts += [c]
betweenbool = self.compboundCheckBox.isChecked()
invertbool = self.invertCheckBox.isChecked()
if self.calctype == 0:
self.selectinds, distfromlin, self.lineparameter = self.quatcalc.filterbydistancefromline(
self.comps,
self.compverts[0],
self.compverts[1],
critdist,
betweenpoints=betweenbool,
invlogic=invertbool,
returnall=True,
)
self.lineparameter = self.lineparameter[self.selectinds]
elif self.calctype == 1:
self.selectinds, distfromplane, self.xyparr, self.xyp_verts, intriangle = self.quatcalc.filterbydistancefromplane(
self.comps,
self.compverts[0],
self.compverts[1],
self.compverts[2],
critdist,
withintriangle=betweenbool,
invlogic=invertbool,
returnall=True,
)
self.xyparr = self.xyparr[self.selectinds]
self.selectcomps = self.comps[self.selectinds]
self.plot()
def plot(self):
s = 25
self.plotw_tern.axes.cla()
self.plotw_quat.axes.cla()
self.cbax_quat.cla()
self.cbax_tern.cla()
fom = self.fom
azim = -159.0
elev = 30.0
vstr = str(self.azimelevLineEdit.text()).strip()
if "," in vstr:
a, b, c = vstr.partition(",")
try:
a = myeval(a.strip())
c = myeval(c.strip())
self.vmin = a
self.vmax = c
except:
pass
if self.revcmapCheckBox.isChecked():
cmap = cm.jet_r
else:
cmap = cm.jet
clip = True
skipoutofrange = [False, False]
self.vmin = fom.min()
self.vmax = fom.max()
vstr = str(self.vminmaxLineEdit.text()).strip()
if "," in vstr:
a, b, c = vstr.partition(",")
try:
a = myeval(a.strip())
c = myeval(c.strip())
self.vmin = a
self.vmax = c
for count, (fcn, le) in enumerate(
zip([cmap.set_under, cmap.set_over], [self.belowrangecolLineEdit, self.aboverangecolLineEdit])
):
vstr = str(le.text()).strip()
vstr = vstr.replace('"', "").replace("'", "")
print "^^^", vstr, "none" in vstr or "None" in vstr
if "none" in vstr or "None" in vstr:
skipoutofrange[count] = True
continue
if len(vstr) == 0:
continue
c = col_string(vstr)
try:
fcn(c)
clip = False
except:
print "color entry not understood:", vstr
except:
pass
print "4"
norm = colors.Normalize(vmin=self.vmin, vmax=self.vmax, clip=clip)
print "fom min, max, mean, std:", fom.min(), fom.max(), fom.mean(), fom.std()
comps = self.comps
# comment out this skipoutofrange becuase it could mess up the indexing
# print 'skipoutofrange', skipoutofrange
# print len(fom)
# if skipoutofrange[0]:
# inds=numpy.where(fom>=self.vmin)
# fom=fom[inds]
# comps=comps[inds]
# print len(fom)
# if skipoutofrange[1]:
# inds=numpy.where(fom<=self.vmax)
# fom=fom[inds]
# comps=comps[inds]
# print len(fom)
if numpy.any(fom > self.vmax):
if numpy.any(fom < self.vmin):
extend = "both"
else:
extend = "max"
elif numpy.any(fom < self.vmin):
extend = "min"
else:
extend = "neither"
print "extend ", extend
i = self.ternskipComboBox.currentIndex()
inds = [j for j in range(4) if j != i][:3]
terncomps = numpy.array([c[inds] / c[inds].sum() for c in comps])
reordercomps = comps[:, inds + [i]]
reorderlabels = [self.ellabels[j] for j in inds + [i]]
fomselect = fom[self.selectinds]
compsselect = comps[self.selectinds]
reordercompsselect = reordercomps[self.selectinds]
fomlabel = self.dataclass.fomlabel
self.stackedternplotdict = dict(
[
("comps", reordercomps),
("fom", fom),
("cmap", cmap),
("norm", norm),
("ellabels", reorderlabels),
("fomlabel", fomlabel),
("extend", extend),
]
)
self.echem30_all.clearandplot(self.stackedternplotdict, cb=True, ellabels=reorderlabels)
print len(fomselect), " samples selected"
if len(fomselect) > 0:
self.stackedternplotdictselect = dict(
[
("comps", reordercompsselect),
("fom", fomselect),
("cmap", cmap),
("norm", norm),
("ellabels", reorderlabels),
("fomlabel", fomlabel),
("extend", extend),
]
)
self.echem30_select.clearandplot(self.stackedternplotdictselect, cb=True, ellabels=reorderlabels)
quat = QuaternaryPlot(self.plotw_quat.axes, ellabels=self.ellabels, offset=0)
quat.label()
quat.scatter(
compsselect, c=fomselect, s=s, cmap=cmap, norm=norm, edgecolor="none"
) # vmin=self.vmin, vmax=self.vmax,
cb = self.plotw_quat.fig.colorbar(
quat.mappable, cax=self.cbax_quat, extend=extend, format=autocolorbarformat((fom.min(), fom.max()))
)
cb.set_label(fomlabel, fontsize=18)
quat.set_projection(azim=azim, elev=elev)
if self.calctype == 0:
quat.line(self.compverts[0], self.compverts[1])
self.quatcalc.plotfomalonglineparameter(
self.plotw_tern.axes,
self.lineparameter,
fomselect,
compend1=self.compverts[0],
compend2=self.compverts[1],
lineparticks=numpy.linspace(0, 1, 4),
ls="none",
marker=".",
)
elif self.calctype == 1:
self.quatcalc.plotfominselectedplane(
self.plotw_tern.axes,
self.xyparr,
fomselect,
xyp_verts=self.xyp_verts,
vertcomps_labels=[self.compverts[0], self.compverts[1], self.compverts[2]],
s=20,
edgecolor="none",
cmap=cmap,
norm=norm,
)
quat.line(self.compverts[0], self.compverts[1])
quat.line(self.compverts[0], self.compverts[2])
quat.line(self.compverts[2], self.compverts[1])
cb = self.plotw_tern.fig.colorbar(
quat.mappable, cax=self.cbax_tern, extend=extend, format=autocolorbarformat((fom.min(), fom.max()))
)
cb.set_label(fomlabel, fontsize=18)
self.plotw_quat.axes.mouse_init()
self.plotw_quat.axes.set_axis_off()
self.plotw_tern.fig.canvas.draw()
self.plotw_quat.fig.canvas.draw()
def ternclickprocess(self, coords_button):
xc, yc, button = coords_button
if self.calctype == 0:
clickindsel = numpy.argmin((self.lineparameter - xc) ** 2)
elif self.calctype == 1:
clickindsel = numpy.argmin([(x - xc) ** 2 + (y - yc) ** 2 for x, y in self.xyparr])
cmp = self.selectcomps[clickindsel]
clickind = numpy.argmin([((cmp - c) ** 2).sum() for c in self.comps])
s = self.smp[clickind]
print "clicked composition is ", cmp, " sample is ", s
def save(self):
self.selectfolder(None)
lab = str(self.systemsComboBox.currentText())
lab += "_" + self.dataclass.expstr + "_"
if self.calctype == 0:
lab += "1Dcut_"
elif self.calctype == 1:
lab += "2Dcut_"
pngname = lambda sn: os.path.join(self.folderpath, lab + "_" + sn + ".png")
epsname = lambda sn: os.path.join(self.folderpath, lab + "_" + sn + ".eps")
for fig, saven in zip(
[self.plotw_quat.fig, self.plotw_tern.fig, self.echem30_select.plotw.fig, self.echem30_all.plotw.fig],
["tetr", "projection", "stackedselect", "stackedall"],
):
fig.savefig(pngname(saven))
fig.savefig(epsname(saven))
s = "\n".join([` i ` for i in self.smp[self.selectinds]])
