def fixlayer(self):
"""Get fixed values for thickness and composition"""
# Get Thickness (layers not sub - sub has "infinite" thickness)
if not self.fix:
self.thick = 0.0
return False
self.units = get_options('+Enter fixed thicknesses in Angstroms (a)'
'or ug/cm**2 (u), (def=a):', ('A', 'U'), 'A')
if self.units == 'A':
label = 'Angstroms'
if self.units == 'U':
label = 'ug/cm**2'
self.thick = get_nums('Fixed thickness [%s]:' % label,
10e5, 0, 0)
self.thick = self.thick/1.0e6 # g/cm**2
if self.units == 'A':
self.thick = self.thick*self.rho/100. # cm
# Get Composition
if len(self.els) == 1:
# fraction in layer is one if only 1 element
self.els[0] = 1.0
else:
reply = get_options('Enter the fixed composition %s by '
'weight fractions (w) or by atomic '
'formula (def=a) :', ('W', 'A'), 'A')
for i in range(0, len(self.els)):
if reply == 'W':
for j in range(0, self.els):
self.els[j].wtfrac = get_nums(
'Weight fraction concentration'
'of element %s:' % self.els[j], 1.0, 0.0,
default=1, zeroval=1.0e-9)
elif reply == 'A':
self.els[j].atform = get_nums(
'Atomic Formula of element %s '
'(i.e 1 for Si in SiO2):' % self.els[j], 100)
if reply == 'A':
wtfracs = wtfract([el.name for el in self.els],
[el.atform for el in self.els])
for x, _ in enumerate(wtfracs):
self.els[x].wtfrac = wtfracs[x]
def new_std(self):
how = get_options('Input %s standard composition in wt. %% (w) '
'or atomic formula(a) (def=a):' % self.name,
('W', 'A'), 'A')
while True:
count = 0
while True:
count += 1
print "Element %d in %s" % (count, self.name)
name = get_options('Element Symbol:', 'els')
line = get_options('Lowest Excited X-Ray Line:', 'lines')
self.els.append(AtomicElement(name, line))
if how.upper() == 'W':
self.els[-1].wtfract = get_nums('Weight Fraction:', 1)
else:
self.els[-1].atform = get_nums('Atomic Formula:', 100)
print ("Entered so far: %s"
% ' '.join([el.name for el in self.els]))
if not yes_no("Add another element? (Y/N)"):
break
if how.upper() == 'A':
wtfracs = wtfract(self.els, [el.atform for el in self.els])
for x, _ in enumerate(wtfracs):
self.els[x].wtfrac = wtfracs[x]
print ('%s compound standard: els, weight fractions:'
% self.name)
print "\t".join([self.els[x].name for x
in range(0, len(self.els))])
print "\t".join([str(round(el.wtfrac, 5)) for el in self.els])
if yes_no("Is this correct?\n(restarts if no)(Y/N):", False):
break
data = ""
for i in range(0, len(self.els)):
data += "\t%s\t%s\t%s" % (self.els[i].name,
self.els[i].line,
self.els[i].wtfrac)
towrite = "%s%s\n" % (self.name, data)
with open('empastds.txt', 'a') as myfile:
myfile.write(towrite)
