def setData(self, data):
"""Load the data in various formats.
param data: string or An open file-like object, or list of array or 2D array
if string or open file-like object, (name of a file that contains
data or a string containing the data.) this uses the PDFParser
to load the data and then passes it to the build-in profile with
loadParsedData.
if list of array or (2D array), then the first row profile[0] will
be x, the second row profile[1] will be y and third row profile[2]
(if exists) will be dy
"""
if isinstance(data, (np.ndarray, list)):
if len(data) == 2:
x, y = data
dy = None
elif len(data) == 3:
x, y, dy = data
self.profile.setObservedProfile(xobs=x, yobs=y, dyobs=dy)
else:
self.loadData(data)
# Get the data into a string
from diffpy.srfit.util.inpututils import inputToString
datstr = inputToString(data)
# Load data with a PDFParser
from diffpy.srfit.pdf.pdfparser import PDFParser
parser = PDFParser()
parser.parseString(datstr)
# Pass it to the profile
self.profile.loadParsedData(parser)
return
def resultsDictionary(results):
"""Get dictionary of results from file.
This reads the results from file and stores them in a dictionary to be
returned to the caller. The dictionary may contain non-result entries.
results -- An open file-like object, name of a file that contains
results from FitResults or a string containing fit results.
"""
resstr = inputToString(results)
rx = {'f' : r"[+-]? *(?:\d+(?:\.\d*)?|\.\d+)(?:[eE][+-]?\d+)?",
'n' : r'[a-zA-Z_]\w*'}
pat = r"(%(n)s)\s+(%(f)s)" % rx
matches = re.findall(pat, resstr)
# Prefer the first match
matches.reverse()
mpairs = dict(matches)
return mpairs
def loadData(self, data):
"""Load the data in various formats.
This uses the PDFParser to load the data and then passes it to the
build-in profile with loadParsedData.
data -- An open file-like object, name of a file that contains data
or a string containing the data.
"""
# Get the data into a string
from diffpy.srfit.util.inpututils import inputToString
datstr = inputToString(data)
# Load data with a PDFParser
from diffpy.srfit.pdf.pdfparser import PDFParser
parser = PDFParser()
parser.parseString(datstr)
# Pass it to the profile
self.profile.loadParsedData(parser)
return
def loadData(self, data):
"""Load the data in various formats.
This uses the PDFParser to load the data and then passes it to the
build-in profile with loadParsedData.
data -- An open file-like object, name of a file that contains data
or a string containing the data.
"""
# Get the data into a string
from diffpy.srfit.util.inpututils import inputToString
datstr = inputToString(data)
# Load data with a PDFParser
from diffpy.srfit.pdf.pdfparser import PDFParser
parser = PDFParser()
parser.parseString(datstr)
# Pass it to the profile
self.profile.loadParsedData(parser)
return
def resultsDictionary(results):
"""Get dictionary of results from file.
This reads the results from file and stores them in a dictionary to be
returned to the caller. The dictionary may contain non-result entries.
results -- An open file-like object, name of a file that contains
results from FitResults or a string containing fit results.
"""
resstr = inputToString(results)
rx = {
'f': r"[+-]? *(?:\d+(?:\.\d*)?|\.\d+)(?:[eE][+-]?\d+)?",
'n': r'[a-zA-Z_]\w*'
}
pat = r"(%(n)s)\s+(%(f)s)" % rx
matches = re.findall(pat, resstr)
# Prefer the first match
matches.reverse()
mpairs = dict(matches)
return mpairs
