def _get_reader(self, filename, fobj):
from ufit.data import data_formats, data_formats_image
if self.format == 'auto':
for n, m in iteritems(data_formats):
# check 'simple' formats last
if not n.startswith('simple') and m.check_data(fobj):
return m, n in data_formats_image
for n, m in iteritems(data_formats):
if n.startswith('simple') and m.check_data(fobj):
return m, n in data_formats_image
raise UFitError('File %r has no recognized file format' % filename)
return data_formats[self.format], self.format in data_formats_image
def getPts(self):
retpts = []
for name, sp in iteritems(self.sps):
# if (self.pt == PlaneType.h0lplane and sp[self.cz] == 0): # only points in this plane
if (np.dot(PlaneType.GetVector(self.pt), sp) == 0):
if (self.pt == PlaneType.h0lplane or self.pt == PlaneType.hhlplane):
vec = [sp[0], sp[2]]
elif (self.pt == PlaneType.hk0plane):
vec = sp[:2]
else:
raise NotImplementedError
pts = []
# print name, sp
for gpt in self.gpts:
pts.append(gpt + vec)
pts.append(gpt - vec)
pts.append(gpt + vec * inva)
pts.append(gpt - vec * inva)
if (self.pt == PlaneType.hk0plane): # tetragonal
vec.reverse()
pts.append(gpt + vec)
pts.append(gpt - vec)
pts.append(gpt + vec * inva)
pts.append(gpt - vec * inva)
retpts.append(np.array(pts))
return retpts
def update_enables(self, *ignored):
for p, ctls in iteritems(self.param_controls):
# if there is an expr...
if ctls[4].currentText():
# disable value and minmax, check "fixed" and disable "fixed"
ctls[1].setEnabled(False)
ctls[3].setCheckState(Qt.PartiallyChecked) # implicitly fixed
ctls[3].setEnabled(False)
ctls[5].setEnabled(False)
ctls[6].setEnabled(False)
ctls[7].setEnabled(False)
# else, if "fixed" is checked...
elif ctls[3].checkState() == Qt.Checked:
# enable value, but disable expr and minmax
ctls[1].setEnabled(True)
ctls[4].setEnabled(False)
ctls[5].setEnabled(False)
ctls[6].setEnabled(False)
ctls[7].setEnabled(False)
# else: not fixed, no expr
else:
# enable everything
ctls[1].setEnabled(True)
ctls[3].setEnabled(True)
ctls[3].setCheckState(Qt.Unchecked)
ctls[3].setTristate(False)
ctls[4].setEnabled(True)
ctls[5].setEnabled(True)
ctls[6].setEnabled(True)
ctls[7].setEnabled(True)
def update_from_controls(self):
for p, ctls in iteritems(self.param_controls):
_, val, _, fx, expr, pmin, pmax, delta = ctls
p.value = float(val.text()) if val.text() else 0
if fx.checkState() == Qt.Checked:
p.expr = str(val.text())
else:
p.expr = str(expr.currentText())
p.pmin = float(pmin.text()) if pmin.text() else None
p.pmax = float(pmax.text()) if pmax.text() else None
p.delta = float(delta.text()) if delta.text() else 0
self.update_enables()
session.set_dirty()
def prepare_params(params, meta):
# find parameters that need to vary
dependent = {}
varying = []
varynames = []
for p in params:
if p.initexpr:
try:
p.value = param_eval(p.initexpr, {'data': meta})
except Exception:
pass # can happen for heterogeneous data collections
if p.expr:
dependent[p.name] = [p.expr, None]
else:
varying.append(p)
varynames.append(p.name)
pd = dict((p.name, p.value) for p in varying)
pd.update(expr_namespace)
pd['data'] = meta
# poor man's dependency tracking of parameter expressions
dep_order = []
maxit = len(dependent) + 1
while dependent:
maxit -= 1
if maxit == 0:
s = '\n'.join(' %s: %s' % (k, v[1])
for (k, v) in iteritems(dependent))
raise UFitError('Detected unresolved parameter dependencies:\n' +
s)
for p, (expr, _) in listitems(dependent): # dictionary will change
try:
pd[p] = param_eval(expr, pd)
except NameError as e:
dependent[p][1] = str(e)
except AttributeError as e:
dependent[p][1] = 'depends on data.' + str(e)
else:
del dependent[p]
dep_order.append((p, expr))
# pd.pop('__builtins__', None)
return varying, varynames, dep_order, pd
def getLines(self):
def additem(col, main, v):
col.append([main + v, np.arctan2(*(v))])
retpts = []
for gpt in self.gpts:
pts = []
for name, sp in iteritems(self.sps):
if (np.dot(PlaneType.GetVector(self.pt), sp) == 0): # only points in this plane
if (self.pt == PlaneType.h0lplane or self.pt == PlaneType.hhlplane):
vec = [sp[0], sp[2]]
elif (self.pt == PlaneType.hk0plane):
vec = sp[:2]
else:
raise NotImplementedError
additem(pts, gpt, vec)
vec[:] = [-x for x in vec]
additem(pts, gpt, vec)
vec = list(vec * inva)
additem(pts, gpt, vec)
vec[:] = [-x for x in vec]
additem(pts, gpt, vec)
if (self.pt == PlaneType.hk0plane): # tetragonal
vec.reverse()
additem(pts, gpt, vec)
vec[:] = [-x for x in vec]
additem(pts, gpt, vec)
vec = list(vec * inva)
additem(pts, gpt, vec)
vec[:] = [-x for x in vec]
additem(pts, gpt, vec)
# pts.sort()
# ptdict = {}
# for pt in pts:
# ptdict[pt[1]] = pt[0]
pts = sorted(pts, key=lambda s: s[1])
pts = np.array(pts)[:, 0]
pts = np.array(list(pts))
retpts.append(pts)
return retpts
def datavalues(self):
d = dict((k, [v]) for (k, v) in iteritems(self[0].data.meta))
for res in self[1:]:
for k, v in iteritems(res.data.meta):
d[k].append(v)
return d
sympoints = {
"Gamma": [0, 0, 0],
"X": [0, 0, 0.5],
"N": [0, 0.5, 0],
"Z": [0.5, 0.5, -0.5],
"P": [0.25, 0.25, 0.25],
"Y": [-zeta, zeta, 0.5],
"Y1": [0.5, 0.5, -zeta],
"Sigma": [-eta, eta, eta],
"Sigma1": [eta, 1 - eta, -eta],
}
init_printing()
def mult(x, a, b, c):
return x[0] * a + x[1] * b + x[2] * c
print(b1, b2, b3)
print()
init_printing()
for n, sp in iteritems(sympoints):
h = simplify(mult(sp, b1, b2, b3)[0] * a / 2 / pi)
k = simplify(mult(sp, b1, b2, b3)[1] * a / 2 / pi)
l = simplify(mult(sp, b1, b2, b3)[2] * c / 2 / pi)
print("%s\t%s\t%s\t%s" % (n, h, k, l))