/usr/lib/python2.7/dist-packages/fabio/cbfimage.py is in python-fabio 0.3.0+dfsg-1build1.
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#
# Project: X-ray image reader
# https://github.com/kif/fabio
#
#
# Copyright (C) European Synchrotron Radiation Facility, Grenoble, France
#
# Principal author: Jérôme Kieffer (Jerome.Kieffer@ESRF.eu)
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <http://www.gnu.org/licenses/>.
#
"""
Authors: Jérôme Kieffer, ESRF
email:jerome.kieffer@esrf.fr
Cif Binary Files images are 2D images written by the Pilatus detector and others.
They use a modified (simplified) byte-offset algorithm.
CIF is a library for manipulating Crystallographic information files and tries
to conform to the specification of the IUCR
"""
# get ready for python3
from __future__ import with_statement, print_function, absolute_import
__author__ = "Jérôme Kieffer"
__contact__ = "jerome.kieffer@esrf.eu"
__license__ = "GPLv3+"
__date__ = "30/10/2015"
__copyright__ = "European Synchrotron Radiation Facility, Grenoble, France"
__version__ = ["Generated by CIF.py: Jan 2005 - Oct 2015",
"Written by Jerome Kieffer: Jerome.Kieffer@esrf.eu",
"On-line data analysis / ISDD ", "ESRF Grenoble (France)"]
import os, logging
import numpy
from .fabioimage import FabioImage
from .fabioutils import six
from .compression import compByteOffset, decByteOffset, md5sum
logger = logging.getLogger("CbfImage")
# import time
try:
from ._cif import split_tokens
except ImportError:
split_tokens = None
DATA_TYPES = { "signed 8-bit integer" : "int8",
"signed 16-bit integer" : "int16",
"signed 32-bit integer" : "int32",
"signed 64-bit integer" : "int64",
"unsigned 8-bit integer" : "uint8",
"unsigned 16-bit integer": "uint16",
"unsigned 32-bit integer": "uint32",
"unsigned 64-bit integer": "uint64"
}
MINIMUM_KEYS = ["X-Binary-Size-Fastest-Dimension",
"X-Binary-Size-Second-Dimension",
"X-Binary-Size",
"X-Binary-Number-of-Elements",
'X-Binary-Element-Type',
'X-Binary-Number-of-Elements']
STARTER = b"\x0c\x1a\x04\xd5"
PADDING = 512
BINARAY_SECTION = b"--CIF-BINARY-FORMAT-SECTION--"
CIF_BINARY_BLOCK_KEY = "_array_data.data"
class CbfImage(FabioImage):
"""
Read the Cif Binary File data format
"""
def __init__(self, data=None , header=None, fname=None):
"""
Constructor of the class CIF Binary File reader.
@param _strFilename: the name of the file to open
@type _strFilename: string
"""
FabioImage.__init__(self, data, header)
self.cif = CIF()
self.cbs = None
self.start_binary = None
if fname is not None: # load the file)
self.read(fname)
@staticmethod
def checkData(data=None):
if data is None:
return None
elif numpy.issubdtype(data.dtype, int):
return data
else:
return data.astype(int)
def _readheader(self, inStream):
"""
Read in a header in some CBF format from a string representing binary stuff
@param inStream: file containing the Cif Binary part.
@type inStream: opened file.
"""
self._read_cif_header(inStream)
self._read_binary_section_header(inStream)
def _read_cif_header(self, inStream):
"""
Read in a ASCII CIF header
@param inStream: file containing the Cif Binary part.
@type inStream: opened file.
"""
blocks = []
last = ""
header_data = None
for i in range(16):
# up to 512*16 = 8k headers
ablock = inStream.read(PADDING)
blocks.append(ablock)
if last:
extra = len(BINARAY_SECTION)
extblock = last[-extra:] + ablock
else:
extra = 0
extblock = ablock
res = extblock.find(BINARAY_SECTION)
if res >= 0:
start_cbs = i * PADDING - extra + res
all_blocks = b"".join(blocks)
header_data = all_blocks[:start_cbs] + b"CIF Binary Section\n;\n"
self.cbs = all_blocks[start_cbs:]
break
last = ablock
else:
header_data = b"".join(blocks) + inStream.read()
self.cif._parseCIF(header_data)
# backport contents of the CIF data to the headers
for key, value in self.cif.items():
if key == CIF_BINARY_BLOCK_KEY:
if self.cbs is None:
self.cbs = value
else:
self.header[key] = (self.cif[key].strip(" \"\n\r\t"))
def _read_binary_section_header(self, inStream):
"""
Read the binary section header
"""
self.start_binary = self.cbs.find(STARTER)
while self.start_binary < 0:
self.cbs += inStream.read(PADDING)
self.start_binary = self.cbs.find(STARTER)
bin_headers = self.cbs[:self.start_binary]
lines = bin_headers.split(b"\n")
for line in lines[1:]:
if len(line) < 10:
break
try:
key, val = line.split(b':' , 1)
except ValueError:
key, val = line.split(b'=' , 1)
key = key.strip().decode("ASCII")
self.header[key] = val.strip(b" \"\n\r\t").decode("ASCII")
missing = []
for item in MINIMUM_KEYS:
if item not in self.header:
missing.append(item)
if missing:
logger.info("Mandatory keys missing in CBF file: " + ", ".join(missing))
# Compute image size
try:
self.dim1 = int(self.header['X-Binary-Size-Fastest-Dimension'])
self.dim2 = int(self.header['X-Binary-Size-Second-Dimension'])
except:
raise IOError("CBF file %s is corrupt, no dimensions in it" % fname)
try:
self.bytecode = DATA_TYPES[self.header['X-Binary-Element-Type']]
except KeyError:
self.bytecode = "int32"
logger.warning("Defaulting type to int32")
self.bpp = numpy.dtype(self.bytecode).itemsize
def read(self, fname, frame=None):
"""
Read in header into self.header and
the data into self.data
"""
self.filename = fname
self.header = self.check_header()
self.resetvals()
infile = self._open(fname, "rb")
self._readheader(infile)
if CIF_BINARY_BLOCK_KEY not in self.cif:
err = "Not key %s in CIF, no CBF image in %s" % (CIF_BINARY_BLOCK_KEY, fname)
logger.error(err)
for kv in self.cif.items():
print("%s: %s" % kv)
raise RuntimeError(err)
if self.cif[CIF_BINARY_BLOCK_KEY] == "CIF Binary Section":
self.cbs += infile.read(len(STARTER) + int(self.header["X-Binary-Size"]) - len(self.cbs) + self.start_binary)
else:
if len(self.cif[CIF_BINARY_BLOCK_KEY]) > int(self.header["X-Binary-Size"]) + self.start_binary + len(STARTER):
self.cbs = self.cif[CIF_BINARY_BLOCK_KEY][:int(self.header["X-Binary-Size"]) + self.start_binary + len(STARTER)]
else:
self.cbs = self.cif[CIF_BINARY_BLOCK_KEY]
binary_data = self.cbs[self.start_binary + len(STARTER):]
logger.debug("CBS type %s len %s" % (type(self.cbs), len(self.cbs)))
if "Content-MD5" in self.header:
ref = numpy.string_(self.header["Content-MD5"])
obt = md5sum(binary_data)
if ref != obt:
logger.error("Checksum of binary data mismatch: expected %s, got %s" % (ref, obt))
if self.header["conversions"] == "x-CBF_BYTE_OFFSET":
self.data = self._readbinary_byte_offset(binary_data).astype(self.bytecode).reshape((self.dim2, self.dim1))
else:
raise Exception(IOError, "Compression scheme not yet supported, please contact the author")
self.resetvals()
# # ensure the PIL image is reset
self.pilimage = None
return self
def _readbinary_byte_offset(self, raw_bytes):
"""
Read in a binary part of an x-CBF_BYTE_OFFSET compressed image
@param inStream: the binary image (without any CIF decorators)
@type inStream: python string.
@return: a linear numpy array without shape and dtype set
@rtype: numpy array
"""
myData = decByteOffset(raw_bytes, size=self.dim1 * self.dim2)
assert len(myData) == self.dim1 * self.dim2
return myData
def write(self, fname):
"""
write the file in CBF format
@param fname: name of the file
@type: string
"""
if self.data is not None:
self.dim2, self.dim1 = self.data.shape
else:
raise RuntimeError("CBF image contains no data")
binary_blob = compByteOffset(self.data)
# l = len(binary_blob)
# if (l % PADDING) != 0:
# rem = PADDING - (l % PADDING)
# binary_blob += "\x00" * rem
dtype = "Unknown"
for key, value in DATA_TYPES.items():
if value == self.data.dtype:
dtype = key
binary_block = [
b"--CIF-BINARY-FORMAT-SECTION--",
b"Content-Type: application/octet-stream;",
b' conversions="x-CBF_BYTE_OFFSET"',
b'Content-Transfer-Encoding: BINARY',
numpy.string_("X-Binary-Size: %d" % (len(binary_blob))),
b"X-Binary-ID: 1",
numpy.string_('X-Binary-Element-Type: "%s"' % (dtype)),
b"X-Binary-Element-Byte-Order: LITTLE_ENDIAN" ,
b"Content-MD5: " + md5sum(binary_blob),
numpy.string_("X-Binary-Number-of-Elements: %d" % (self.dim1 * self.dim2)),
numpy.string_("X-Binary-Size-Fastest-Dimension: %d" % self.dim1),
numpy.string_("X-Binary-Size-Second-Dimension: %d" % self.dim2),
b"X-Binary-Size-Padding: 1",
b"",
STARTER + binary_blob,
b"",
b"--CIF-BINARY-FORMAT-SECTION----"
]
if "_array_data.header_contents" not in self.header:
nonCifHeaders = []
else:
nonCifHeaders = [i.strip()[2:] for i in self.header["_array_data.header_contents"].split("\n") if i.find("# ") >= 0]
for key in self.header:
if key.startswith("_") :
if key not in self.cif or self.cif[key] != self.header[key]:
self.cif[key] = self.header[key]
elif key.startswith("X-Binary-"):
pass
elif key.startswith("Content-"):
pass
elif key.startswith("conversions"):
pass
elif key.startswith("filename"):
pass
elif key in self.header:
nonCifHeaders.append("%s %s" % (key, self.header[key]))
if len(nonCifHeaders) > 0:
self.cif["_array_data.header_contents"] = "\r\n".join(["# %s" % i for i in nonCifHeaders])
self.cbf = b"\r\n".join(binary_block)
block = b"\r\n".join([b"", CIF_BINARY_BLOCK_KEY.encode("ASCII"), b";", self.cbf, b";"])
self.cif.pop(CIF_BINARY_BLOCK_KEY, None)
with open(fname, "wb") as out_file:
out_file.write(self.cif.tostring(fname, "\r\n").encode("ASCII"))
out_file.write(block)
################################################################################
# CIF class
################################################################################
class CIF(dict):
"""
This is the CIF class, it represents the CIF dictionary;
and as a a python dictionary thus inherits from the dict built in class.
keys are always unicode (str in python3)
values are bytes
"""
EOL = [numpy.string_(i) for i in ("\r", "\n", "\r\n", "\n\r")]
BLANK = [numpy.string_(i) for i in (" ", "\t")] + EOL
SINGLE_QUOTE = numpy.string_("'")
DOUBLE_QUOTE = numpy.string_('"')
SEMICOLUMN = numpy.string_(';')
START_COMMENT = (SINGLE_QUOTE, DOUBLE_QUOTE)
BINARY_MARKER = numpy.string_("--CIF-BINARY-FORMAT-SECTION--")
HASH = numpy.string_("#")
LOOP = numpy.string_("loop_")
UNDERSCORE = ord("_") if six.PY3 else b"_"
QUESTIONMARK = ord("?") if six.PY3 else b"?"
STOP = numpy.string_("stop_")
GLOBAL = numpy.string_("global_")
DATA = numpy.string_("data_")
SAVE = numpy.string_("save_")
def __init__(self, _strFilename=None):
"""
Constructor of the class.
@param _strFilename: the name of the file to open
@type _strFilename: filename (str) or file object
"""
dict.__init__(self)
self._ordered = []
if _strFilename is not None: # load the file)
self.loadCIF(_strFilename)
def __setitem__(self, key, value):
if key not in self._ordered:
self._ordered.append(key)
return dict.__setitem__(self, key, value)
def pop(self, key, default=None):
if key in self._ordered:
self._ordered.remove(key)
return dict.pop(self, key, default)
def popitem(self, key, default=None):
if key in self._ordered:
self._ordered.remove(key)
return dict.popitem(self, key, None)
def loadCIF(self, _strFilename, _bKeepComment=False):
"""Load the CIF file and populates the CIF dictionary into the object
@param _strFilename: the name of the file to open
@type _strFilename: string
@param _strFilename: the name of the file to open
@type _strFilename: string
@return: None
"""
own_fd = False
if isinstance(_strFilename, (six.binary_type, six.text_type)):
if os.path.isfile(_strFilename):
infile = open(_strFilename, "rb")
own_fd = True
else:
raise RuntimeError("CIF.loadCIF: No such file to open: %s" % _strFilename)
elif "read" in dir(_strFilename):
infile = _strFilename
else:
raise RuntimeError("CIF.loadCIF: what is %s type %s" % (_strFilename, type(_strFilename)))
if _bKeepComment:
self._parseCIF(numpy.string_(infile.read()))
else:
self._parseCIF(CIF._readCIF(infile))
if own_fd:
infile.close()
readCIF = loadCIF
@staticmethod
def isAscii(text):
"""
Check if all characters in a string are ascii,
@param _strIn: input string
@type _strIn: python string
@return: boolean
@rtype: boolean
"""
try:
text.decode("ascii")
except UnicodeDecodeError:
return False
else:
return True
@staticmethod
def _readCIF(instream):
"""
- Check if the filename containing the CIF data exists
- read the cif file
- removes the comments
@param instream: opened file object containing the CIF data
@return: a set of bytes (8-bit string) containing the raw data
@rtype: string
"""
if not "read" in dir(instream):
raise RuntimeError("CIF._readCIF(instream): I expected instream to be an opened file,\
here I got %s type %s" % (instream, type(instream)))
out_bytes = numpy.string_("")
for sLine in instream:
nline = numpy.string_(sLine)
pos = nline.find(self.HASH)
if pos >= 0:
if self.isAscii(nLine):
out_bytes += nLine[:pos] + numpy.string_(os.linesep)
if pos > 80:
logger.warning("This line is too long and could cause problems in PreQuest: %s", sLine)
else :
out_bytes += nLine
if len(sLine.strip()) > 80 :
logger.warning("This line is too long and could cause problems in PreQuest: %s", sLine)
return out_bytes
def _parseCIF(self, bytes_text):
"""
- Parses the text of a CIF file
- Cut it in fields
- Find all the loops and process
- Find all the keys and values
@param bytes_text: the content of the CIF - file
@type bytes_text: 8-bit string (str in python2 or bytes in python3)
@return: Nothing, the data are incorporated at the CIF object dictionary
@rtype: None
"""
loopidx = []
looplen = []
loop = []
if split_tokens:
logger.debug("using cython split_tokens")
fields = split_tokens(bytes_text)
else:
logger.debug("using python split")
fields = self._splitCIF(bytes_text.strip())
logger.debug("After split got %s fileds" % len(fields))
for idx, field in enumerate(fields):
if field.lower() == self.LOOP:
loopidx.append(idx)
if loopidx:
for i in loopidx:
loopone, length, keys = CIF._analyseOneLoop(fields, i)
loop.append([keys, loopone])
looplen.append(length)
for i in range(len(loopidx) - 1, -1, -1):
f1 = fields[:loopidx[i]] + fields[loopidx[i] + looplen[i]:]
fields = f1
self[self.LOOP.decode("ASCII")] = loop
for i in range(len(fields) - 1):
if len(fields[i + 1]) == 0 :
fields[i + 1] = self.QUESTIONMARK
if fields[i][0] == self.UNDERSCORE and fields[i + 1][0] != self.UNDERSCORE:
try:
data = fields[i + 1].decode("ASCII")
except UnicodeError:
logger.warning("Unable to decode in ascii: %s" % fields[i + 1])
data = fields[i + 1]
self[(fields[i]).decode("ASCII")] = data
@classmethod
def _splitCIF(cls, bytes_text):
"""
Separate the text in fields as defined in the CIF
@param bytes_text: the content of the CIF - file
@type bytes_text: 8-bit string (str in python2 or bytes in python3)
@return: list of all the fields of the CIF
@rtype: list
"""
fields = []
while True:
if len(bytes_text) == 0:
break
elif bytes_text[0] == cls.SINGLE_QUOTE:
idx = 0
finished = False
while not finished:
idx += 1 + bytes_text[idx + 1:].find(cls.SINGLE_QUOTE)
if idx >= len(bytes_text) - 1:
fields.append(bytes_text[1:-1].strip())
bytes_text = numpy.string_("")
finished = True
break
if bytes_text[idx + 1] in cls.BLANK:
fields.append(bytes_text[1:idx].strip())
tmp_text = bytes_text[idx + 1:]
bytes_text = tmp_text.strip()
finished = True
elif bytes_text[0] == cls.DOUBLE_QUOTE:
idx = 0
finished = False
while not finished:
idx += 1 + bytes_text[idx + 1:].find(cls.DOUBLE_QUOTE)
if idx >= len(bytes_text) - 1:
fields.append(bytes_text[1:-1].strip())
bytes_text = numpy.string_("")
finished = True
break
if bytes_text[idx + 1] in cls.BLANK:
fields.append(bytes_text[1:idx].strip())
tmp_text = bytes_text[idx + 1:]
bytes_text = tmp_text.strip()
finished = True
elif bytes_text[0] == cls.SEMICOLUMN:
if bytes_text[1:].strip().find(cls.BINARY_MARKER) == 0:
idx = bytes_text[32:].find(cls.BINARY_MARKER)
if idx == -1:
idx = 0
else:
idx += 32 + len(cls.BINARY_MARKER)
else:
idx = 0
finished = False
while not finished:
idx += 1 + bytes_text[idx + 1:].find(cls.SEMICOLUMN)
if bytes_text[idx - 1] in cls.EOL:
fields.append(bytes_text[1:idx - 1].strip())
tmp_text = bytes_text[idx + 1:]
bytes_text = tmp_text.strip()
finished = True
else:
res = bytes_text.split(None, 1)
if len(res) == 2:
first, second = bytes_text.split(None, 1)
if cls.isAscii(first):
fields.append(first)
bytes_text = second.strip()
continue
start_binary = bytes_text.find(cls.BINARY_MARKER)
if start_binary > 0:
end_binary = bytes_text[start_binary + 1:].find(cls.BINARY_MARKER) + start_binary + 1 + len(cls.BINARY_MARKER)
fields.append(bytes_text[:end_binary])
bytes_text = bytes_text[end_binary:].strip()
else:
fields.append(bytes_text)
bytes_text = numpy.string_("")
break
return fields
@classmethod
def _analyseOneLoop(cls, fields, start_idx):
"""Processes one loop in the data extraction of the CIF file
@param fields: list of all the words contained in the cif file
@type fields: list
@param start_idx: the starting index corresponding to the "loop_" key
@type start_idx: integer
@return: the list of loop dictionaries, the length of the data
extracted from the fields and the list of all the keys of the loop.
@rtype: tuple
"""
loop = []
keys = []
i = start_idx + 1
finished = False
while not finished:
if fields[i][0] == cls.UNDERSCORE:
keys.append(fields[i])
i += 1
else:
finished = True
data = []
while True:
if i >= len(fields):
break
elif len(fields[i]) == 0:
break
elif fields[i][0] == cls.UNDERSCORE:
break
elif fields[i] in (cls.LOOP, cls.STOP, cls.GLOBAL, cls.DATA, cls.SAVE):
break
else:
data.append(fields[i])
i += 1
k = 0
if len(data) < len(keys):
element = {}
for j in keys:
if k < len(data):
element[j] = data[k]
else :
element[j] = self.QUESTIONMARK
k += 1
loop.append(element)
else:
for i in range(len(data) / len(keys)):
element = {}
for j in keys:
element[j] = data[k]
k += 1
loop.append(element)
return loop, 1 + len(keys) + len(data), keys
#############################################################################################
######## everything needed to write a cif file #########################################
#############################################################################################
def saveCIF(self, _strFilename="test.cif", linesep=os.linesep, binary=False):
"""Transforms the CIF object in string then write it into the given file
@param _strFilename: the of the file to be written
@param linesep: line separation used (to force compatibility with windows/unix)
@param binary: Shall we write the data as binary (True only for imageCIF/CBF)
@return: None
"""
if binary:
mode = "wb"
else:
mode = "w"
try:
fFile = open(_strFilename, mode)
except IOError:
logger.error("Error during the opening of file for write: %s" %
_strFilename)
return
fFile.write(self.tostring(_strFilename, linesep))
try:
fFile.close()
except IOError:
logger.error("Error during the closing of file for write: %s" % _strFilename)
def tostring(self, _strFilename=None, linesep=os.linesep):
"""
Converts a cif dictionnary to a string according to the CIF syntax
@param _strFilename: the name of the filename to be appended in the header of the CIF file
@type _strFilename: string
@param linesep: default line separation: can be "\n" or "\r\n"
@return: a string that corresponds to the content of the CIF-file.
"""
lstStrCif = ["# " + i for i in __version__]
if "_chemical_name_common" in self:
t = self["_chemical_name_common"].split()[0]
elif _strFilename is not None:
t = os.path.splitext(os.path.split(str(_strFilename).strip())[1])[0]
else:
t = ""
lstStrCif.append("data_%s" % (t))
# first of all get all the keys :
lKeys = list(self.keys())
lKeys.sort()
for key in lKeys[:]:
if key in self._ordered:
lKeys.remove(key)
self._ordered += lKeys
for sKey in self._ordered:
if sKey == "loop_":
continue
if sKey not in self:
self._ordered.remove(sKey)
logger.debug("Skipping key %s from ordered list as no more present in dict")
continue
sValue = str(self[sKey])
if sValue.find("\n") > -1: # should add value between ;;
lLine = [sKey, ";", sValue, ";", ""]
elif len(sValue.split()) > 1: # should add value between ''
sLine = "%s '%s'" % (sKey, sValue)
if len(sLine) > 80:
lLine = [str(sKey), sValue]
else:
lLine = [sLine]
else:
sLine = "%s %s" % (sKey, sValue)
if len(sLine) > 80:
lLine = [str(sKey), sValue]
else:
lLine = [sLine]
lstStrCif += lLine
if "loop_" in self:
for loop in self["loop_"]:
lstStrCif.append("loop_ ")
lKeys = loop[0]
llData = loop[1]
lstStrCif += [" %s" % (sKey) for sKey in lKeys]
for lData in llData:
sLine = " "
for key in lKeys:
sRawValue = lData[key]
if sRawValue.find("\n") > -1: # should add value between ;;
lstStrCif += [sLine, ";", str(sRawValue), ";"]
sLine = " "
else:
if len(sRawValue.split()) > 1: # should add value between ''
value = "'%s'" % (sRawValue)
else:
value = str(sRawValue)
if len(sLine) + len(value) > 78:
lstStrCif += [sLine]
sLine = " " + value
else:
sLine += " " + value
lstStrCif.append(sLine)
lstStrCif.append("")
return linesep.join(lstStrCif)
def exists(self, sKey):
"""
Check if the key exists in the CIF and is non empty.
@param sKey: CIF key
@type sKey: string
@param cif: CIF dictionary
@return: True if the key exists in the CIF dictionary and is non empty
@rtype: boolean
"""
bExists = False
if sKey in self:
if len(self[sKey]) >= 1:
if self[sKey][0] not in (self.QUESTIONMARK, numpy.string_(".")):
bExists = True
return bExists
def existsInLoop(self, sKey):
"""
Check if the key exists in the CIF dictionary.
@param sKey: CIF key
@type sKey: string
@param cif: CIF dictionary
@return: True if the key exists in the CIF dictionary and is non empty
@rtype: boolean
"""
if not self.exists(self.LOOP):
return False
bExists = False
if not bExists:
for i in self[self.LOOP]:
for j in i[0]:
if j == sKey:
bExists = True
return bExists
def loadCHIPLOT(self, _strFilename):
"""
Load the powder diffraction CHIPLOT file and returns the
pd_CIF dictionary in the object
@param _strFilename: the name of the file to open
@type _strFilename: string
@return: the CIF object corresponding to the powder diffraction
@rtype: dictionary
"""
if not os.path.isfile(_strFilename):
errStr = "I cannot find the file %s" % _strFilename
logger.error(errStr)
raise IOError(errStr)
lInFile = open(_strFilename, "r").readlines()
self["_audit_creation_method"] = 'From 2-D detector using FIT2D and CIFfile'
self["_pd_meas_scan_method"] = "fixed"
self["_pd_spec_description"] = lInFile[0].strip()
try:
iLenData = int(lInFile[3])
except ValueError:
iLenData = None
lOneLoop = []
try:
f2ThetaMin = float(lInFile[4].split()[0])
last = ""
for sLine in lInFile[-20:]:
if sLine.strip() != "":
last = sLine.strip()
f2ThetaMax = float(last.split()[0])
limitsOK = True
except (ValueError, IndexError):
limitsOK = False
f2ThetaMin = 180.0
f2ThetaMax = 0
# print "limitsOK:", limitsOK
for sLine in lInFile[4:]:
sCleaned = sLine.split("#")[0].strip()
data = sCleaned.split()
if len(data) == 2 :
if not limitsOK:
f2Theta = float(data[0])
if f2Theta < f2ThetaMin :
f2ThetaMin = f2Theta
if f2Theta > f2ThetaMax :
f2ThetaMax = f2Theta
lOneLoop.append({ "_pd_meas_intensity_total": data[1] })
if not iLenData:
iLenData = len(lOneLoop)
assert (iLenData == len(lOneLoop))
self[ "_pd_meas_2theta_range_inc" ] = "%.4f" % ((f2ThetaMax - f2ThetaMin) / (iLenData - 1))
if self[ "_pd_meas_2theta_range_inc" ] < 0:
self[ "_pd_meas_2theta_range_inc" ] = abs (self[ "_pd_meas_2theta_range_inc" ])
tmp = f2ThetaMax
f2ThetaMax = f2ThetaMin
f2ThetaMin = tmp
self[ "_pd_meas_2theta_range_max" ] = "%.4f" % f2ThetaMax
self[ "_pd_meas_2theta_range_min" ] = "%.4f" % f2ThetaMin
self[ "_pd_meas_number_of_points" ] = str(iLenData)
self[self.LOOP] = [ [ ["_pd_meas_intensity_total" ], lOneLoop ] ]
@staticmethod
def LoopHasKey(loop, key):
"Returns True if the key (string) exist in the array called loop"""
try:
loop.index(key)
return True
except ValueError:
return False
cbfimage = CbfImage
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