def _parse_header(cls, filename, fp, data_objects=None, close=False, **fmt_params):
try:
fmt_params = dict(cls.default_fmt_params, **fmt_params)
# Goto start of file
fp.seek(0)
# Get base filename:
basename = u(os.path.basename(filename))
# Read in the first and last data line and put the file cursor back
# at its original position
header = cls.parse_raw_line(fp.readline().strip(), str)
replace = [
"a%d" % i for i in range (1, 6)
] + [
"b%d" % i for i in range (1, 6)
] + [ "c", ]
header = [ "par_%s" % val if val in replace else val for val in header ]
data_start_pos = fp.tell()
line_count, _ = cls.get_last_line(fp)
fp.seek(data_start_pos)
# Adapt DataObject list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=line_count)
# Fill in header info:
for i in range(line_count):
data_objects[i].update(
filename=basename,
header=header
)
finally:
if close: fp.close()
return data_objects
def _parse_header(cls,
filename,
fp,
data_objects=None,
close=False,
**fmt_params):
fmt_params = dict(cls.default_fmt_params, **fmt_params)
f = fp
# Goto start of file
f.seek(0)
# Get base filename:
try:
basename = u(os.path.basename(filename))
except:
basename = None
# Read in the first and last data line and put the file cursor back
# at its original position
header = f.readline().strip()
data_start_pos = f.tell()
first_line = f.readline().strip()
twotheta_count, last_line = cls.get_last_line(f)
last_line = last_line.strip()
f.seek(data_start_pos)
# Extract the data from the first & last data lines:
first_line_vals = cls.parse_raw_line(first_line, float, **fmt_params)
last_line_vals = cls.parse_raw_line(last_line, float, **fmt_params)
num_samples = len(first_line_vals) - 1 # first column is 2-theta
twotheta_min = first_line_vals[0]
twotheta_max = last_line_vals[0]
twotheta_step = int((twotheta_max - twotheta_min) / twotheta_count)
# Parse the header line:
sample_names = cls.parse_raw_line(header, lambda s: s,
**fmt_params)[1:]
if len(sample_names) < num_samples:
sample_names.extend([""] * (num_samples - len(sample_names)))
if len(sample_names) > num_samples:
sample_names = sample_names[:num_samples]
# Adapt DataObject list
data_objects = cls._adapt_data_object_list(data_objects,
num_samples=num_samples)
# Fill in header info:
for i, sample_name in enumerate(sample_names):
data_objects[i].update(filename=basename,
name=sample_name,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count)
if close: f.close()
return data_objects
def _parse_header(cls, filename, fp, data_objects=None, close=False):
f = fp
try:
basename = u(os.path.basename(filename))
except:
basename = None
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=1)
# Move to the start of the file
f.seek(0)
# Go over the header:
header_dict = {}
for lineno, line in enumerate(f):
# Start of data after this line:
if line.strip() == "RawScan":
data_start = f.tell()
break
else:
# Break header line into separate parts, and strip trailing whitespace:
parts = list(map(str.strip, line.split(',')))
# If length is shorter then three, somethings wrong
if len(parts) < 3:
raise IOError("Header of UDF file is malformed at line %d" % lineno)
# Handle some of the header's arguments manually, the rest is
# just passed to the data object as keyword arguments...
if parts[0] == "SampleIdent":
name = parts[1]
elif parts[0] == "DataAngleRange":
twotheta_min = float(parts[1])
twotheta_max = float(parts[2])
elif parts[0] == "ScanStepSize":
twotheta_step = float(parts[1])
# TODO extract other keys and replace with default names
header_dict[parts[0]] = ','.join(parts[1:-1])
twotheta_count = int((twotheta_max - twotheta_min) / twotheta_step)
data_objects[0].update(
filename=basename,
name=name,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
data_start=data_start,
**header_dict
)
if close: f.close()
return data_objects
def _parse_header(cls, filename, fp, data_objects=None, close=False):
f = fp
try:
basename = u(os.path.basename(filename))
except:
basename = None
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=1)
# Move to the start of the file
f.seek(0)
# Go over the header:
header_dict = {}
for lineno, line in enumerate(f):
# Start of data after this line:
if line.strip() == "RawScan":
data_start = f.tell()
break
else:
# Break header line into separate parts, and strip trailing whitespace:
parts = list(map(str.strip, line.split(',')))
# If length is shorter then three, somethings wrong
if len(parts) < 3:
raise IOError(
"Header of UDF file is malformed at line %d" % lineno)
# Handle some of the header's arguments manually, the rest is
# just passed to the data object as keyword arguments...
if parts[0] == "SampleIdent":
name = parts[1]
elif parts[0] == "DataAngleRange":
twotheta_min = float(parts[1])
twotheta_max = float(parts[2])
elif parts[0] == "ScanStepSize":
twotheta_step = float(parts[1])
# TODO extract other keys and replace with default names
header_dict[parts[0]] = ','.join(parts[1:-1])
twotheta_count = int((twotheta_max - twotheta_min) / twotheta_step)
data_objects[0].update(filename=basename,
name=name,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
data_start=data_start,
**header_dict)
if close: f.close()
return data_objects
def _parse_header(cls, filename, fp, data_objects=None, close=False, split_columns=True, has_header=True, file_start=0, **fmt_params):
fmt_params = dict(cls.default_fmt_params, **fmt_params)
f = fp
# Goto start of file
f.seek(file_start)
# Get base filename:
try:
basename = u(os.path.basename(filename))
except:
basename = None
# Read in the first and last data line and put the file cursor back
# at its original position
header = f.readline().strip()
if not has_header:
f.seek(file_start) # go back to the start, we still use the first line as header, but also as data
data_start_pos = f.tell()
first_line = f.readline().strip()
twotheta_count, last_line = cls.get_last_line(f)
last_line = last_line.strip()
f.seek(data_start_pos)
# Extract the data from the first & last data lines:
first_line_vals = cls.parse_raw_line(first_line, float, **fmt_params)
last_line_vals = cls.parse_raw_line(last_line, float, **fmt_params)
num_samples = len(first_line_vals) - 1 # first column is 2-theta
twotheta_min = first_line_vals[0]
twotheta_max = last_line_vals[0]
twotheta_step = int((twotheta_max - twotheta_min) / twotheta_count)
# Parse the header line:
sample_names = cls.parse_raw_line(header, lambda s: s, **fmt_params)[1:]
if len(sample_names) < num_samples:
sample_names.extend([""] * (num_samples - len(sample_names)))
if len(sample_names) > num_samples:
sample_names = sample_names[:num_samples]
# Adapt DataObject list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=num_samples)
# Fill in header info:
for i, sample_name in enumerate(sample_names):
data_objects[i].update(
filename=basename,
name=sample_name,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count
)
if close: f.close()
return data_objects
def _parse_header(cls, filename, fp, data_objects=None, close=False):
f = fp
try:
basename = u(os.path.basename(filename))
except:
basename = None
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=1)
# Move to the start of the file
f.seek(0)
# Skip a line: file type header
f.readline()
# Read data limits
twotheta_min = float(f.readline().replace(",", ".").strip())
twotheta_max = float(f.readline().replace(",", ".").strip())
twotheta_step = float(f.readline().replace(",", ".").strip())
twotheta_count = int((twotheta_max - twotheta_min) / twotheta_step)
# Read target element name
target_type = f.readline()
# Read wavelength
alpha1 = float(f.readline().replace(",", ".").strip())
# Read up to SCANDATA and keep track of the line before,
# it contains the sample description
name = ""
while True:
line = f.readline().strip()
if line == "SCANDATA" or line == "":
data_start = f.tell()
break
else:
name = line
data_objects[0].update(
filename=basename,
name=name,
target_type=target_type,
alpha1=alpha1,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
data_start=data_start,
)
if close: f.close()
return data_objects
def parse_header(cls, filename, f=None, data_objects=None, close=False):
filename, f, close = cls._get_file(filename, f=f, close=close)
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=1)
# Move to the start of the file
f.seek(0)
# Skip a line: file type header
f.readline()
# Read data limits
twotheta_min = float(f.readline().replace(",", ".").strip())
twotheta_max = float(f.readline().replace(",", ".").strip())
twotheta_step = float(f.readline().replace(",", ".").strip())
twotheta_count = int((twotheta_max - twotheta_min) / twotheta_step)
# Read target element name
target_type = f.readline()
# Read wavelength
alpha1 = float(f.readline().replace(",", ".").strip())
# Read up to SCANDATA and keep track of the line before,
# it contains the sample description
name = ""
while True:
line = f.readline().strip()
if line == "SCANDATA" or line == "":
data_start = f.tell()
break;
else:
name = line
data_objects[0].update(
filename=u(os.path.basename(filename)),
name=name,
target_type=target_type,
alpha1=alpha1,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
data_start=data_start,
)
if close: f.close()
return data_objects
def _parse_header(cls,
filename,
fp,
data_objects=None,
close=False,
**fmt_params):
try:
fmt_params = dict(cls.default_fmt_params, **fmt_params)
# Goto start of file
fp.seek(0)
# Get base filename:
basename = u(os.path.basename(filename))
# Read in the first and last data line and put the file cursor back
# at its original position
header = cls.parse_raw_line(fp.readline().strip(), str)
replace = ["a%d" % i for i in range(1, 6)
] + ["b%d" % i for i in range(1, 6)] + [
"c",
]
header = [
"par_%s" % val if val in replace else val for val in header
]
data_start_pos = fp.tell()
line_count, _ = cls.get_last_line(fp)
fp.seek(data_start_pos)
# Adapt DataObject list
data_objects = cls._adapt_data_object_list(data_objects,
num_samples=line_count)
# Fill in header info:
for i in xrange(line_count):
data_objects[i].update(filename=basename, header=header)
finally:
if close: fp.close()
return data_objects
def _parse_header(cls, filename, fp, data_objects=None, close=False):
f = fp
try:
basename = u(os.path.basename(filename))
except:
basename = None
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=1)
# Go to the start of the file
f.seek(0, SEEK_SET)
# Read file format version:
version = f.read(2).decode()
if version in ("V3", "V5"):
# Read diffractometer, target and focus type:
f.seek(84, SEEK_SET)
diffractomer_type, target_type, focus_type = struct.unpack("bbb", f.read(3))
diffractomer_type = {
0: b"PW1800",
1: b"PW1710 based system",
2: b"PW1840",
3: b"PW3710 based system",
4: b"Undefined",
5: b"X'Pert MPD"
}[cap(0, diffractomer_type, 5, 4)]
target_type = {
0: b"Cu",
1: b"Mo",
2: b"Fe",
3: b"Cr",
4: b"Other"
}[cap(0, target_type, 3, 4)]
focus_type = {
0: b"BF",
1: b"NF",
2: b"FF",
3: b"LFF",
4: b"Unkown",
}[cap(0, focus_type, 3, 4)]
# Read wavelength information:
f.seek(94, SEEK_SET)
alpha1, alpha2, alpha_factor = struct.unpack("ddd", f.read(24))
# Read sample name:
f.seek(146, SEEK_SET)
sample_name = u(f.read(16).replace(b"\0", b""))
# Read data limits:
f.seek(214)
twotheta_step, twotheta_min, twotheta_max = struct.unpack("ddd", f.read(24))
twotheta_count = int((twotheta_max - twotheta_min) / twotheta_step)
# Set data start:
data_start = {
"V3": 250,
"V5": 810
}[version]
data_objects[0].update(
filename=basename,
name=sample_name,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
target_type=target_type,
alpha1=alpha1,
alpha2=alpha2,
alpha_factor=alpha_factor,
data_start=data_start,
version=version
)
else:
raise IOError("Only V3 and V5 *.RD files are supported!")
if close: f.close()
return data_objects
def _parse_header(cls, filename, fp, data_objects=None, close=False):
f = fp
try:
basename = u(os.path.basename(filename))
except:
basename = None
# Go to the start of the file
f.seek(0, SEEK_SET)
# Read file format version:
version = str(f.read(4))
if version == "RAW ": version = "RAW1"
elif version == "RAW2": version = "RAW2"
elif version == "RAW1" and str(f.read(3)) == ".01": version = "RAW3"
if version == "RAW1":
# This format does not allow getting the exact number of samples,
# so start with one and append where needed:
isfollowed = 1
num_samples = 0
while isfollowed > 0:
twotheta_count = int(struct.unpack("I", f.read(4))[0])
# Check if this is an early "RAW " formatted file where the
# "RAW " is repeated for each sample:
if num_samples > 0 and twotheta_count == int(struct.unpack("I", "RAW ")[0]):
twotheta_count = int(struct.unpack("I", f.read(4))[0])
# Step counting time, 2-theta step size and scanning mode:
time_step, twotheta_step, scan_mode = struct.unpack("fff", f.read(12)) #@UnusedVariable
# Skip 4 bytes, and read 2-theta starting position:
f.seek(4, SEEK_CUR)
twotheta_min, = struct.unpack("f", f.read(4))
twotheta_max = twotheta_min + twotheta_step * float(twotheta_count)
# Skip 12 bytes
# (contain theta, khi and phi start point for eularian craddles)
f.seek(12, SEEK_CUR)
# Read sample name and wavelengths:
sample_name = cls._clean_bin_str(f.read(32))
alpha1, alpha2 = struct.unpack("ff", f.read(8))
# Skip 72 bytes:
f.seek(72, SEEK_CUR)
isfollowed, = struct.unpack("I", f.read(4))
# Get data position and skip for now:
data_start = f.tell()
f.seek(twotheta_count * 4, SEEK_CUR)
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(
data_objects,
num_samples=(num_samples + 1),
only_extend=True
)
data_objects[num_samples].update(
filename=basename,
version=version,
name=sample_name,
time_step=time_step,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
alpha1=alpha1,
alpha2=alpha2,
data_start=data_start
)
num_samples += 1
elif version == "RAW2":
# Read number of sample ranges:
num_samples, = struct.unpack("H", f.read(2))
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=num_samples)
# Read sample name:
f.seek(8, SEEK_SET)
sample_name = cls._clean_bin_str(f.read(32))
# Meta-data description, skip for now:
# description = u(str(f.read(128)).replace("\0", "").strip())
# date = u(str(f.read(10)).replace("\0", "").strip())
# time = u(str(f.read(5)).replace("\0", "").strip())
# Read wavelength information:
f.seek(148, SEEK_CUR)
target_type = u(str(f.read(2)).replace("\0", "").strip()) #@UnusedVariable
alpha1, alpha2, alpha_factor = struct.unpack("fff", f.read(12))
# Total runtime in seconds: (not used fttb)
f.seek(8, SEEK_CUR)
time_total, = struct.unpack("f", f.read(4)) #@UnusedVariable
# Move to first sample header start:
f.seek(256, SEEK_SET)
# Read in per-sample meta data
for i in range(num_samples):
header_start = f.tell()
header_length, twotheta_count = struct.unpack("HH", f.read(4))
data_start = header_start + header_length
# Read step size and start angle:
f.seek(header_start + 12) # = 256 + 4 + 8 skipped bytes
twotheta_step, twotheta_min = struct.unpack("ff", f.read(8))
twotheta_max = twotheta_min + twotheta_step * float(twotheta_count)
# Read up to end of data:
f.seek(data_start + twotheta_count * 4, SEEK_SET)
# Update XRDFile object:
data_objects[i].update(
filename=basename,
version=version,
name=sample_name,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
alpha1=alpha1,
alpha2=alpha2,
alpha_factor=alpha_factor,
data_start=data_start
)
elif version == "RAW3":
# Read file status:
f.seek(8, SEEK_SET)
file_status = { #@UnusedVariable
1: "done",
2: "active",
3: "aborted",
4: "interrupted"
}[int(struct.unpack("I", f.read(4))[0])]
# Read number of samples inside this file:
f.seek(12, SEEK_SET)
num_samples, = struct.unpack("I", f.read(4))
# Read in sample name:
f.seek(326, SEEK_SET)
sample_name = cls._clean_bin_str(f.read(60))
# Goniometer radius:
f.seek(564, SEEK_SET)
radius = float(struct.unpack("f", f.read(4))[0])
# Fixed divergence:
f.seek(568, SEEK_SET)
divergence = float(struct.unpack("f", f.read(4))[0])
# Primary soller
f.seek(576, SEEK_SET)
soller1 = float(struct.unpack("f", f.read(4))[0])
# Secondary soller
f.seek(592, SEEK_SET)
soller2 = float(struct.unpack("f", f.read(4))[0])
# Get anode type:
f.seek(608, SEEK_SET)
target_type = str(f.read(4)) #@UnusedVariable
# Get wavelength info:
f.seek(616, SEEK_SET)
alpha_average, alpha1, alpha2, beta, alpha_factor = (#@UnusedVariable
struct.unpack("ddddd", f.read(8 * 5)))
# Get total recording time:
f.seek(664, SEEK_SET)
time_total, = struct.unpack("f", f.read(4)) #@UnusedVariable
# Adapt XRDFile lis & Skip to first block:t
data_objects = cls._adapt_data_object_list(data_objects, num_samples=num_samples)
f.seek(712, SEEK_SET)
# Read in per-sample meta data
for i in range(num_samples):
# Store the start of the header:
header_start = f.tell()
# Get header length
f.seek(header_start + 0, SEEK_SET)
header_length, = struct.unpack("I", f.read(4))
assert header_length == 304, "Invalid format!"
# Get data count and
f.seek(header_start + 4, SEEK_SET)
twotheta_count, = struct.unpack("I", f.read(4))
# Get theta start positions
f.seek(header_start + 8, SEEK_SET)
theta_min, twotheta_min = struct.unpack("dd", f.read(8 * 2))#@UnusedVariable
# Read step size
f.seek(header_start + 176, SEEK_SET)
twotheta_step, = struct.unpack("d", f.read(8))
# Read counting time
f.seek(header_start + 192, SEEK_SET)
time_step, = struct.unpack("d", f.read(8))
# Read the used wavelength
f.seek(header_start + 240, SEEK_SET)
alpha_used, = struct.unpack("d", f.read(8))#@UnusedVariable
# Supplementary header size:
f.seek(header_start + 256, SEEK_SET)
supp_headers_size, = struct.unpack("I", f.read(4))
data_start = header_start + header_length + supp_headers_size
# Move to the end of the data:
f.seek(data_start + twotheta_count * 4)
# Calculate last data point
twotheta_max = twotheta_min + twotheta_step * float(twotheta_count - 0.5)
data_objects[i].update(
filename=basename,
version=version,
name=sample_name,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
alpha1=alpha1,
alpha2=alpha2,
alpha_factor=alpha_factor,
data_start=data_start,
radius=radius,
soller1=soller1,
soller2=soller2,
divergence=divergence
)
else:
raise IOError, "Only verson 1, 2 and 3 *.RAW files are supported!"
if close: f.close()
return data_objects
def _clean_bin_str(cls, val):
return u(str(val).replace("\0", "").strip())
def _clean_bin_str(cls, val):
return u(val.replace("\0".encode(), "".encode()).strip())
def parse_header(cls, filename, f=None, data_objects=None, close=False):
filename, f, close = cls._get_file(filename, f=f, close=close)
# Go to the start of the file
f.seek(0, SEEK_SET)
# Read file format version:
version = str(f.read(4))
if version == "RAW ": version = "RAW1"
elif version == "RAW2": version = "RAW2"
elif version == "RAW1" and str(f.read(3)) == ".01": version = "RAW3"
if version == "RAW1":
# This format does not allow getting the exact number of samples,
# so start with one and append where needed:
isfollowed = 1
num_samples = 0
while isfollowed > 0:
twotheta_count = int(struct.unpack("I", f.read(4))[0])
# Check if this is an early "RAW " formatted file where the
# "RAW " is repeated for each sample:
if num_samples > 0 and twotheta_count == int(struct.unpack("I", "RAW ")[0]):
twotheta_count = int(struct.unpack("I", f.read(4))[0])
# Step counting time, 2-theta step size and scanning mode:
time_step, twotheta_step, scan_mode = struct.unpack("fff", f.read(12)) #@UnusedVariable
# Skip 4 bytes, and read 2-theta starting position:
f.seek(4, SEEK_CUR)
twotheta_min, = struct.unpack("f", f.read(4))
twotheta_max = twotheta_min + twotheta_step * float(twotheta_count)
# Skip 12 bytes
# (contain theta, khi and phi start point for eularian craddles)
f.seek(12, SEEK_CUR)
# Read sample name and wavelengths:
sample_name = u(str(f.read(32)).replace("\0", "").strip())
alpha1, alpha2 = struct.unpack("ff", f.read(8))
# Skip 72 bytes:
f.seek(72, SEEK_CUR)
isfollowed, = struct.unpack("I", f.read(4))
# Get data position and skip for now:
data_start = f.tell()
f.seek(twotheta_count * 4, SEEK_CUR)
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(
data_objects,
num_samples=(num_samples + 1),
only_extend=True
)
data_objects[num_samples].update(
filename=u(os.path.basename(filename)),
version=version,
name=sample_name,
time_step=time_step,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
alpha1=alpha1,
alpha2=alpha2,
data_start=data_start
)
num_samples += 1
elif version == "RAW2":
# Read number of sample ranges:
num_samples, = struct.unpack("H", f.read(2))
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=num_samples)
# Read sample name:
f.seek(8, SEEK_SET)
sample_name = u(str(f.read(32)).replace("\0", "").strip())
# Meta-data description, skip for now:
# description = u(str(f.read(128)).replace("\0", "").strip())
# date = u(str(f.read(10)).replace("\0", "").strip())
# time = u(str(f.read(5)).replace("\0", "").strip())
# Read wavelength information:
f.seek(148, SEEK_CUR)
target_type = u(str(f.read(2)).replace("\0", "").strip()) #@UnusedVariable
alpha1, alpha2, alpha_factor = struct.unpack("fff", f.read(12))
# Total runtime in seconds: (not used fttb)
f.seek(8, SEEK_CUR)
time_total, = struct.unpack("f", f.read(4)) #@UnusedVariable
# Move to first sample header start:
f.seek(256, SEEK_SET)
# Read in per-sample meta data
for i in range(num_samples):
header_start = f.tell()
header_length, twotheta_count = struct.unpack("HH", f.read(4))
data_start = header_start + header_length
# Read step size and start angle:
f.seek(header_start + 12) # = 256 + 4 + 8 skipped bytes
twotheta_step, twotheta_min = struct.unpack("ff", f.read(8))
twotheta_max = twotheta_min + twotheta_step * float(twotheta_count)
# Read up to end of data:
f.seek(data_start + twotheta_count * 4, SEEK_SET)
# Update XRDFile object:
data_objects[i].update(
filename=u(os.path.basename(filename)),
version=version,
name=sample_name,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
alpha1=alpha1,
alpha2=alpha2,
alpha_factor=alpha_factor,
data_start=data_start
)
elif version == "RAW3":
# Read file status:
file_status = { #@UnusedVariable
1: "done",
2: "active",
3: "aborted",
4: "interrupted"
}[int(struct.unpack("H", f.read(4))[0])]
# Read number of samples inside this file:
num_samples, = struct.unpack("H", f.read(4))
# Adapt XRDFile list
data_objects = cls._adapt_data_object_list(data_objects, num_samples=num_samples)
# Read in sample name:
f.seek(326, SEEK_SET)
sample_name = str(f.read(60))
# Get anode type:
f.seek(608, SEEK_SET)
target_type = str(f.read(4)) #@UnusedVariable
# Get wavelength info:
f.seek(616, SEEK_SET)
alpha_average, alpha1, alpha2, beta, alpha_factor = (#@UnusedVariable
struct.unpack("ddddd", f.read(8 * 5)))
# Get total recording time:
time_total, = struct.unpack("f", f.read(4)) #@UnusedVariable
# Read in per-sample meta data
for i in range(num_samples):
# Store the start of the header:
header_start = f.tell()
# Get header length, data count and theta start position
header_length, twotheta_count = struct.unpack("HH", f.read(4))
theta_min, twotheta_min = struct.unpack("dd", f.read(8 * 2))#@UnusedVariable
data_start = header_start + header_length
# Read step size
f.seek(header_start + 176, SEEK_SET)
twotheta_step, = struct.unpack("d", f.read(8))
# Read counting time
f.seek(header_start + 192, SEEK_SET)
time_step, = struct.unpack("d", f.read(8))
# Read the used wavelength
f.seek(header_start + 240, SEEK_SET)
alpha_used, = struct.unpack("d", f.read(8))#@UnusedVariable
# Move to the end of the data:
f.seek(data_start + twotheta_count * 4)
data_objects[i].update(
filename=u(os.path.basename(filename)),
version=version,
name=sample_name,
twotheta_min=twotheta_min,
twotheta_max=twotheta_max,
twotheta_step=twotheta_step,
twotheta_count=twotheta_count,
alpha1=alpha1,
alpha2=alpha2,
alpha_factor=alpha_factor,
data_start=data_start
)
else:
raise IOError, "Only verson 1, 2 and 3 *.RAW files are supported!"
if close: f.close()
return data_objects
def _clean_bin_str(cls, val):
return u(val.replace("\0".encode(), "".encode()).strip())
