def ifeffit(self,cmd):
"execute an Ifeffit command or list of ifeffit commands"
coms = split(cmd,'\012')
ret = 0
for c in coms:
if (c != ''): ret = _ifeffit.iff_exec(c)
return ret
def __init__(self,screen_echo = 1,use_numeric=1):
# this initializes the Ifeffit session
try:
_ifeffit.iff_exec(' ')
except:
print " failed to load ifeffit library"
sys.exit(1)
startup_string = "&screen_echo=%i" % (screen_echo)
self.ifeffit(startup_string)
self.MAX_ARRAY_PTS = int(self.get_scalar("&maxpts"))
self.num_array = None
if (use_numeric == 1):
try:
import Numeric
self.num_array = Numeric.array
except:
self.num_array = None
if (os.name == 'nt'):
oskeys = os.environ.keys()
defkeys = {'PGPLOT_DEV':'/GW',
'IFEFFIT_DIR':'C:\Program Files\Ifeffit'}
for i in defkeys.keys():
if (i in oskeys):
u = os.environ[i]
v = defkeys[i]
else:
os.environ[i] = defkeys[i]
os.environ['PGPLOT_DIR'] = os.environ['IFEFFIT_DIR']
os.environ['PATH'] = os.environ['PATH'] + ';.;' + os.environ['IFEFFIT_DIR']
try:
import _ifeffit
_ifeffit.iff_exec(' ')
except:
print "Cannot load Ifeffit Module -- check path and installation"
sys.exit(1)
class Ifeffit:
"""
Ifeffit - Python interface to the IFEFFIT XAFS Analysis library
This module provides a simple set of functions to interface with
the IFEFFIT XAFS Analysis library. The functions provided are:
- ifeffit(cmd): execute an Ifeffit command
- put_scalar(name,val): set a python double as an Ifeffit scalar