def __init__(self, dsname):
"""Create and return an open CTF dataset object. You may open many
CTF datasets at once by creating many instances of this class."""
self.dsData = None # set this now so __del__ won't complain
if dsname[-1] == '/':
dsname = dsname[:-1]
b = os.path.basename(dsname)
if b[-3:] != '.ds':
raise Exception, "%s is not a dataset name" % dsname
self.dsname = dsname
self.setname = b[:-3]
# Open files. We allow the .meg4 file to be absent.
res4name = self.getDsFileNameExt('.res4')
self.r = ctf.readRes4(res4name)
try:
meg4name = self.getDsFileNameExt('.meg4')
self.dsData = dsData(self.r, meg4name) # handle to open .meg4 file
except:
pass
# A mapping from channel name to number, backwards compatible name.
self.channel = self.r.chanIndex
# Get the marks, if any.
self.marks = markers(dsname)
# Get the dewar coordinates of the head from the .hc file, if any.
hc = self.getDsFileNameExt('.hc')
try:
n, l, r = getHC(hc, 'dewar')
self.dewar = n, l, r
# compute the transform into the head frame
self.dewar_to_head = fid.fid(n, l, r)
# compute the head coordinates in the head frame
self.head = [fid.fid_transform(self.dewar_to_head, x) for x in self.dewar]
except:
pass
def dsopen(dsname):
if dsname[-1] == '/':
dsname = dsname[:-1]
s = os.path.splitext(dsname)
if s[1] != '.ds':
raise Exception, "%s is not a dataset name" % dsname
# get the SWIG wrapper for MEGH and change its class
ds = ctf.dsopen(dsname)
ds.__class__ = dsWrap
# create a mapping from channel name to number
d = {}
for m in range(ds.getNumberOfChannels()):
n = ds.getChannelName(m).split('-')[0]
d[n] = m
ds.channel = d
# get the marks, if any
ds.marks = markers(dsname)
# get the dewar coordinates of the head from the hc file, if any
hc = ds.dsname + '/' + ds.setname + '.hc'
try:
n, l, r = getHC(hc, 'dewar')
ds.dewar = n, l, r
# compute the transform into the head frame
ds.dewar_to_head = fid.fid(n, l, r)
# compute the head coordinates in the head frame
ds.head = [fid.fid_transform(ds.dewar_to_head, x) for x in ds.dewar]
except:
pass
return ds
# figure name
figfile = f'../example/Gcurves/MoZr-T{T}.png'
# preparing graphics
plt.cla()
ax.set_xlim([0, 1])
ax.set_xlabel(r'$x_\mathrm{Zr}$')
ax.set_ylabel(r'$G_m$ (J/mol)')
ax.text(0.03, .95, f'$T={T}$ K', transform=ax.transAxes)
# calculating hull and tielines
Gdata, hull, vertices = ch.hull(x, T, MoZr)
tielines, nt = ch.tielines(vertices, Gdata, dx)
# showing free energy curves
mkr = markers.markers()
for phase in MoZr:
if phase.kind == 'sol':
ax.plot(x,
phase.G(x, T),
next(mkr),
markersize=4,
label=phase.label)
elif phase.kind == 'stq':
ax.plot(phase.xB, phase.G(T), 'o', label=phase.label, markersize=8)
# showing tielines
for i in range(0, nt, 2):
ax.plot(Gdata[tielines[i:i + 2], 0],
Gdata[tielines[i:i + 2], 1],
'b-o',
n = len(c)
for s in slist:
if c == s[0:n]:
l.append(s)
if len(l) > 0:
clist1.extend(l)
else:
printerror("channel %s not found" % c)
sys.exit(1)
cnames = ', '.join(clist)
clist = clist1
# Look at the markers and construct the list of trials.
marks = markers(dsname)
for marker in mlist:
if not marks.has_key(marker):
printerror("unknown marker '%s'" % marker)
sys.exit(1)
if len(mlist) == 0:
# if no marks, use the start of each trial
tlist = zip(range(ntrials), [0]*ntrials)
else:
tlist = []
for marker in mlist:
tlist.extend(marks[marker])
# Filter out unwanted trials.
