1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611
|
# Renishaw wdf Raman spectroscopy file reader
# Code inspired by Henderson, Alex DOI:10.5281/zenodo.495477
from __future__ import print_function
import struct
import numpy
import io
from .types import LenType, DataType, MeasurementType
from .types import ScanType, UnitType, DataType
from .types import Offsets, ExifTags
from .utils import convert_wl, convert_attr_name
from sys import stderr
try:
import PIL
from PIL import Image
from PIL.TiffImagePlugin import IFDRational
except ImportError:
PIL = None
class WDFReader(object):
"""Reader for Renishaw(TM) WiRE Raman spectroscopy files (.wdf format)
The wdf file format is separated into several DataBlocks, with starting 4-char
strings such as (incomplete list):
`WDF1`: File header for information
`DATA`: Spectra data
`XLST`: Data for X-axis of data, usually the Raman shift or wavelength
`YLST`: Data for Y-axis of data, possibly not important
`WMAP`: Information for mapping, e.g. StreamLine or StreamLineHR mapping
`MAP `: Mapping information(?)
`ORGN`: Data for stage origin
`TEXT`: Annotation text etc
`WXDA`: ? TODO
`WXDM`: ? TODO
`ZLDC`: ? TODO
`BKXL`: ? TODO
`WXCS`: ? TODO
`WXIS`: ? TODO
`WHTL`: Whilte light image
Following the block name, there are two indicators:
Block uid: int32
Block size: int64
Args:
file_name (file) : File object for the wdf file
Attributes:
title (str) : Title of measurement
username (str) : Username
application_name (str) : Default WiRE
application_version (int,) * 4 : Version number, e.g. [4, 4, 0, 6602]
measurement_type (int) : Type of measurement
0=unknown, 1=single, 2=multi, 3=mapping
scan_type (int) : Scan of type, see values in scan_types
laser_wavenumber (float32) : Wavenumber in cm^-1
count (int) : Numbers of experiments (same type), can be smaller than capacity
spectral_units (int) : Unit of spectra, see unit_types
xlist_type (int) : See unit_types
xlist_unit (int) : See unit_types
xlist_length (int): Size for the xlist
xdata (numpy.array): x-axis data
ylist_type (int): Same as xlist_type
ylist_unit (int): Same as xlist_unit
ylist_length (int): Same as xlist_length
ydata (numpy.array): y-data, possibly not used
point_per_spectrum (int): Should be identical to xlist_length
data_origin_count (int) : Number of rows in data origin list
capacity (int) : Max number of spectra
accumulation_count (int) : Single or multiple measurements
block_info (dict) : Info block at least with following keys
DATA, XLST, YLST, ORGN
# TODO types?
"""
def __init__(self, file_name, debug=False):
try:
self.file_obj = open(str(file_name), "rb")
except IOError:
raise IOError("File {0} does noe exist!".format(file_name))
# Initialize the properties for the wdfReader class
self.title = ""
self.username = ""
self.measurement_type = None
self.scan_type = None
self.laser_length = None
self.count = None
self.spectral_unit = None
self.xlist_type = None
self.xlist_unit = None
self.ylist_type = None
self.ylist_unit = None
self.point_per_spectrum = None
self.data_origin_count = None
self.capacity = None
self.application_name = ""
self.application_version = [None] * 4
self.xlist_length = 0
self.ylist_length = 0
self.accumulation_count = None
self.block_info = {} # each key has value (uid, offset, size)
self.is_completed = False
self.debug = debug
# Parse the header section in the wdf file
self.__locate_all_blocks()
# Parse individual blocks
self.__treat_block_data("WDF1")
self.__treat_block_data("DATA")
self.__treat_block_data("XLST")
self.__treat_block_data("YLST")
self.__treat_block_data("ORGN")
self.__treat_block_data("WMAP")
self.__treat_block_data("WHTL")
# Reshape spectra after reading mapping information
self.__reshape_spectra()
# self._parse_wmap()
# Finally print the information
if self.debug:
print(("File Metadata").center(80, "="), file=stderr)
self.print_info(file=stderr)
print("=" * 80, file=stderr)
def close(self):
self.file_obj.close()
if hasattr(self, "img"):
self.img.close()
def __get_type_string(self, attr, data_type):
"""Get the enumerated-data_type as string"""
val = getattr(self, attr) # No error checking
if data_type is None:
return val
else:
return data_type(val).name
def __read_type(self, type, size=1):
"""Unpack struct data for certain type"""
if type in ["int16", "int32", "int64", "float", "double"]:
if size > 1:
raise NotImplementedError(
"Does not support read number type with size >1"
)
# unpack into unsigned values
fmt_out = LenType["s_" + type].value
fmt_in = LenType["l_" + type].value
return struct.unpack(fmt_out, self.file_obj.read(fmt_in * size))[0]
elif type == "utf8":
# Read utf8 string with determined size block
return self.file_obj.read(size).decode("utf8").replace("\x00", "")
else:
raise ValueError("Unknown data length format!")
def __locate_single_block(self, pos):
"""Get block information starting at pos"""
self.file_obj.seek(pos)
block_name = self.file_obj.read(0x4).decode("ascii")
if len(block_name) < 4:
raise EOFError
block_uid = self.__read_type("int32")
block_size = self.__read_type("int64")
return block_name, block_uid, block_size
def __locate_all_blocks(self):
"""Get information for all data blocks and store them inside self.block_info"""
curpos = 0
finished = False
while not finished:
try:
block_name, block_uid, block_size = self.__locate_single_block(curpos)
self.block_info[block_name] = (block_uid, curpos, block_size)
curpos += block_size
except (EOFError, UnicodeDecodeError):
finished = True
def __treat_block_data(self, block_name):
"""Get data according to specific block name"""
if block_name not in self.block_info.keys():
if self.debug:
print(
"Block name {0} not present in current measurement".format(
block_name
),
file=stderr,
)
return
# parse individual blocks with names
actions = {
"WDF1": ("_parse_header", ()),
"DATA": ("_parse_spectra", ()),
"XLST": ("_parse_xylist", ("X")),
"YLST": ("_parse_xylist", ("Y")),
"ORGN": ("_parse_orgin_list", ()),
"WMAP": ("_parse_wmap", ()),
"WHTL": ("_parse_img", ()),
}
func_name, val = actions[block_name]
getattr(self, func_name)(*val)
# The method for reading the info in the file header
def _parse_header(self):
"""Solve block WDF1"""
self.file_obj.seek(0) # return to the head
# Must make the conversion under python3
block_ID = self.file_obj.read(Offsets.block_id).decode("ascii")
block_UID = self.__read_type("int32")
block_len = self.__read_type("int64")
# First block must be "WDF1"
if (
(block_ID != "WDF1")
or (block_UID != 0 and block_UID != 1)
or (block_len != Offsets.data_block)
):
raise ValueError("The wdf file format is incorrect!")
# TODO what are the digits in between?
# The keys from the header
self.file_obj.seek(Offsets.measurement_info) # space
self.point_per_spectrum = self.__read_type("int32")
self.capacity = self.__read_type("int64")
self.count = self.__read_type("int64")
# If count < capacity, this measurement is not completed
self.is_completed = self.count == self.capacity
self.accumulation_count = self.__read_type("int32")
self.ylist_length = self.__read_type("int32")
self.xlist_length = self.__read_type("int32")
self.data_origin_count = self.__read_type("int32")
self.application_name = self.__read_type("utf8", 24) # Must be "WiRE"
for i in range(4):
self.application_version[i] = self.__read_type("int16")
self.scan_type = ScanType(self.__read_type("int32"))
self.measurement_type = MeasurementType(self.__read_type("int32"))
# For the units
self.file_obj.seek(Offsets.spectral_info)
self.spectral_unit = UnitType(self.__read_type("int32"))
self.laser_length = convert_wl(self.__read_type("float")) # in nm
# Username and title
self.file_obj.seek(Offsets.file_info)
self.username = self.__read_type("utf8", Offsets.usr_name - Offsets.file_info)
self.title = self.__read_type("utf8", Offsets.data_block - Offsets.usr_name)
def _parse_xylist(self, dir):
"""Get information from XLST or YLST blocks"""
if not dir.upper() in ["X", "Y"]:
raise ValueError("Direction argument `dir` must be X or Y!")
name = dir.upper() + "LST"
uid, pos, size = self.block_info[name]
offset = Offsets.block_data
self.file_obj.seek(pos + offset)
setattr(
self,
"{0}list_type".format(dir.lower()),
DataType(self.__read_type("int32")),
)
setattr(
self,
"{0}list_unit".format(dir.lower()),
UnitType(self.__read_type("int32")),
)
size = getattr(self, "{0}list_length".format(dir.lower()))
if size == 0: # Possibly not started
raise ValueError("{0}-List possibly not initialized!".format(dir.upper()))
# self.file_obj.seek(pos + offset)
data = numpy.fromfile(self.file_obj, dtype="float32", count=size)
setattr(self, "{0}data".format(dir.lower()), data)
return
def _parse_spectra(self, start=0, end=-1):
"""Get information from DATA block"""
if end == -1: # take all spectra
end = self.count - 1
if (start not in range(self.count)) or (end not in range(self.count)):
raise ValueError("Wrong start and end indices of spectra!")
if start > end:
raise ValueError("Start cannot be larger than end!")
# Determine start position
uid, pos, size = self.block_info["DATA"]
pos_start = (
pos
+ Offsets.block_data
+ LenType["l_float"].value * start * self.point_per_spectrum
)
n_row = end - start + 1
self.file_obj.seek(pos_start)
spectra_data = numpy.fromfile(
self.file_obj, dtype="float32", count=n_row * self.point_per_spectrum
)
# if len(spectra_data.shape) > 1:
# The spectra is only 1D array
# spectra_data = spectra_data.reshape(
# n_row, spectra_data.size // n_row)
self.spectra = spectra_data
return
def _parse_orgin_list(self):
"""Get information from OriginList
Set the following attributes:
`self.origin_list_header`: 2D-array
`self.origin_list`: origin list
"""
# First confirm origin list type
uid, pos, size = self.block_info["ORGN"]
self.origin_list_header = [
[
None,
]
* 5
for i in range(self.data_origin_count)
]
# All possible to have x y and z positions!
self.xpos = numpy.zeros(self.count)
self.ypos = numpy.zeros(self.count)
self.zpos = numpy.zeros(self.count)
list_increment = (
Offsets.origin_increment + LenType.l_double.value * self.capacity
)
curpos = pos + Offsets.origin_info
for i in range(self.data_origin_count):
self.file_obj.seek(curpos)
p1 = self.__read_type("int32")
p2 = self.__read_type("int32")
s = self.__read_type("utf8", 0x10)
# First index: is the list x, or y pos?
self.origin_list_header[i][0] = (p1 >> 31 & 0b1) == 1
# Second: Data type of the row
self.origin_list_header[i][1] = DataType(p1 & ~(0b1 << 31))
# Third: Unit
self.origin_list_header[i][2] = UnitType(p2)
# Fourth: annotation
self.origin_list_header[i][3] = s
# Last: the actual data
# array = numpy.empty(self.count)
# Time appears to be recorded as int64 in 100 nanosecond intervals
# Possibly using the .NET DateTime epoch
# Reference does not appear to be Unix Epoch time
# Set time[0] = 0 until timestamp reference can be determined
# Resulting array will have unit of `FileTime` in seconds
if self.origin_list_header[i][1] == DataType.Time:
array = (
numpy.array([self.__read_type("int64") for i in range(self.count)])
/ 1e7
)
array = array - array[0]
else:
array = numpy.array(
[self.__read_type("double") for i in range(self.count)]
)
self.origin_list_header[i][4] = array
# Set self.xpos or self.ypos
if self.origin_list_header[i][1] == DataType.Spatial_X:
self.xpos = array
self.xpos_unit = self.origin_list_header[i][2]
elif self.origin_list_header[i][1] == DataType.Spatial_Y:
self.ypos = array
self.ypos_unit = self.origin_list_header[i][2]
elif self.origin_list_header[i][1] == DataType.Spatial_Z:
self.zpos = array
self.zpos_unit = self.origin_list_header[i][2]
else:
pass
curpos += list_increment
def _parse_wmap(self):
"""Get information about mapping in StreamLine and StreamLineHR"""
try:
uid, pos, size = self.block_info["WMAP"]
except KeyError:
if self.debug:
print(
("Current measurement does not" " contain mapping information!"),
file=stderr,
)
return
self.file_obj.seek(pos + Offsets.wmap_origin)
x_start = self.__read_type("float")
if not numpy.isclose(x_start, self.xpos[0], rtol=1e-4):
raise ValueError("WMAP Xpos is not same as in ORGN!")
y_start = self.__read_type("float")
if not numpy.isclose(y_start, self.ypos[0], rtol=1e-4):
raise ValueError("WMAP Ypos is not same as in ORGN!")
unknown1 = self.__read_type("float")
x_pad = self.__read_type("float")
y_pad = self.__read_type("float")
unknown2 = self.__read_type("float")
spectra_w = self.__read_type("int32")
spectra_h = self.__read_type("int32")
# Determine if the xy-grid spacing is same as in x_pad and y_pad
if (len(self.xpos) > 1) and (len(self.ypos) > 1):
xdist = numpy.abs(self.xpos - self.xpos[0])
ydist = numpy.abs(self.ypos - self.ypos[0])
xdist = xdist[numpy.nonzero(xdist)]
ydist = ydist[numpy.nonzero(ydist)]
# Get minimal non-zero padding in the grid
try:
x_pad_grid = numpy.min(xdist)
except ValueError:
x_pad_grid = 0
try:
y_pad_grid = numpy.min(ydist)
except ValueError:
y_pad_grid = 0
self.map_shape = (spectra_w, spectra_h)
self.map_info = dict(
x_start=x_start,
y_start=y_start,
x_pad=x_pad,
y_pad=y_pad,
x_span=spectra_w * x_pad,
y_span=spectra_h * y_pad,
x_unit=self.xpos_unit,
y_unit=self.ypos_unit,
)
def _parse_img(self):
"""Extract the white-light JPEG image
The size of while-light image is coded in its EXIF
Use PIL to parse the EXIF information
"""
try:
uid, pos, size = self.block_info["WHTL"]
except KeyError:
if self.debug:
print("The wdf file does not contain an image", file=stderr)
return
# Read the bytes. `self.img` is a wrapped IO object mimicking a file
self.file_obj.seek(pos + Offsets.jpeg_header)
img_bytes = self.file_obj.read(size - Offsets.jpeg_header)
self.img = io.BytesIO(img_bytes)
# Handle image dimension if PIL is present
if PIL is not None:
pil_img = Image.open(self.img)
# Weird missing header keys when Pillow >= 8.2.0.
# see https://pillow.readthedocs.io/en/stable/releasenotes/8.2.0.html#image-getexif-exif-and-gps-ifd
# Use fall-back _getexif method instead
exif_header = dict(pil_img._getexif())
try:
# Get the width and height of image
w_ = exif_header[ExifTags.FocalPlaneXResolution]
h_ = exif_header[ExifTags.FocalPlaneYResolution]
x_org_, y_org_ = exif_header[ExifTags.FocalPlaneXYOrigins]
def rational2float(v):
"""Pillow<7.2.0 returns tuple, Pillow>=7.2.0 returns IFDRational"""
if not isinstance(v, IFDRational):
return v[0] / v[1]
return float(v)
w_, h_ = rational2float(w_), rational2float(h_)
x_org_, y_org_ = rational2float(x_org_), rational2float(y_org_)
# The dimensions (width, height)
# with unit `img_dimension_unit`
self.img_dimensions = numpy.array([w_, h_])
# Origin of image is at upper right corner
self.img_origins = numpy.array([x_org_, y_org_])
# Default is microns (5)
self.img_dimension_unit = UnitType(
exif_header[ExifTags.FocalPlaneResolutionUnit]
)
# Give the box for cropping
# Following the PIL manual
# (left, upper, right, lower)
self.img_cropbox = self.__calc_crop_box()
except KeyError:
if self.debug:
print(
("Some keys in white light image header" " cannot be read!"),
file=stderr,
)
return
def __calc_crop_box(self):
"""Helper function to calculate crop box"""
def _proportion(x, minmax, pixels):
"""Get proportional pixels"""
min, max = minmax
return int(pixels * (x - min) / (max - min))
pil_img = PIL.Image.open(self.img)
w_, h_ = self.img_dimensions
x0_, y0_ = self.img_origins
pw = pil_img.width
ph = pil_img.height
map_xl = self.xpos.min()
map_xr = self.xpos.max()
map_yt = self.ypos.min()
map_yb = self.ypos.max()
left = _proportion(map_xl, (x0_, x0_ + w_), pw)
right = _proportion(map_xr, (x0_, x0_ + w_), pw)
top = _proportion(map_yt, (y0_, y0_ + h_), ph)
bottom = _proportion(map_yb, (y0_, y0_ + h_), ph)
return (left, top, right, bottom)
def __reshape_spectra(self):
"""Reshape spectra into w * h * self.point_per_spectrum"""
if not self.is_completed:
if self.debug:
print(
(
"The measurement is not completed, "
"will try to reshape spectra into count * pps."
),
file=stderr,
)
try:
self.spectra = numpy.reshape(
self.spectra, (self.count, self.point_per_spectrum)
)
except ValueError:
if self.debug:
print("Reshaping spectra array failed. Please check.", file=stderr)
return
elif hasattr(self, "map_shape"):
# Is a mapping
spectra_w, spectra_h = self.map_shape
if spectra_w * spectra_h != self.count:
if self.debug:
print(
(
"Mapping information from WMAP not"
" corresponding to ORGN! "
"Will not reshape the spectra"
),
file=stderr,
)
return
elif spectra_w * spectra_h * self.point_per_spectrum != len(self.spectra):
if self.debug:
print(
(
"Mapping information from WMAP"
" not corresponding to DATA! "
"Will not reshape the spectra"
),
file=stderr,
)
return
else:
# Should be h rows * w columns. numpy.ndarray is row first
# Reshape to 3D matrix when doing 2D mapping
if (spectra_h > 1) and (spectra_w > 1):
self.spectra = numpy.reshape(
self.spectra, (spectra_h, spectra_w, self.point_per_spectrum)
)
# otherwise it is a line scan
else:
self.spectra = numpy.reshape(
self.spectra, (self.count, self.point_per_spectrum)
)
# For any other type of measurement, reshape into (counts, point_per_spectrum)
# example: series scan
elif self.count > 1:
self.spectra = numpy.reshape(
self.spectra, (self.count, self.point_per_spectrum)
)
else:
return
def print_info(self, **params):
"""Print information of the wdf file"""
s = []
s.append("{0:>24s}:\t{1}".format("Title", self.title))
s.append(
"{0:>17s} version:\t{1}.{2}.{3}.{4}".format(
self.application_name, *self.application_version
)
)
s.append("{0:>24s}:\t{1} nm".format("Laser Wavelength", self.laser_length))
for a in (
"count",
"capacity",
"point_per_spectrum",
"scan_type",
"measurement_type",
"spectral_unit",
"xlist_unit",
"xlist_length",
"ylist_unit",
"ylist_length",
"xpos_unit",
"ypos_unit",
):
sname = convert_attr_name(a)
# Use explicit string conversion to replace
try:
val = str(getattr(self, a))
except AttributeError:
continue
s.append("{0:>24s}:\t{1}".format(sname, val))
text = "\n".join(s)
print(text, **params)
if __name__ == "__main__":
raise NotImplementedError("Please dont run this module as a script!")
|