From: Pat Thoyts <Patrick.Thoyts@renishaw.com>
Date: Mon, 11 Mar 2024 07:59:54 +0000 (+0000)
Subject: hack
X-Git-Url: http://test.brassandglass.co.uk/gitweb?a=commitdiff_plain;ds=sidebyside;p=renishaw_spc.git
hack
---
4bbc113bc46c19733b3f7536ff11149fad780d09
diff --git a/.gitignore b/.gitignore
new file mode 100644
index 0000000..7021e5a
--- /dev/null
+++ b/.gitignore
@@ -0,0 +1,8 @@
+.tox/
+.vscode/
+*.egg-info/
+__pycache__/
+build/
+dist/
+.pytest_cache/
+*.whl
\ No newline at end of file
diff --git a/LICENSE b/LICENSE
new file mode 100644
index 0000000..d645695
--- /dev/null
+++ b/LICENSE
@@ -0,0 +1,202 @@
+
+ Apache License
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diff --git a/MANIFEST.in b/MANIFEST.in
new file mode 100644
index 0000000..6bcf23b
--- /dev/null
+++ b/MANIFEST.in
@@ -0,0 +1,4 @@
+include tox.ini
+include demos/*.py
+include spc/test/*.py
+include spc/test/*.spc
diff --git a/README.md b/README.md
new file mode 100644
index 0000000..e69de29
diff --git a/demos/gspc_test.py b/demos/gspc_test.py
new file mode 100644
index 0000000..a64d3a7
--- /dev/null
+++ b/demos/gspc_test.py
@@ -0,0 +1,45 @@
+"""
+Read an SPC file using the Galactic GSPCIO COM object.
+
+Will require 32 bit python as the COM object is only available for 32 bit.
+"""
+
+import sys
+import argparse
+from comtypes.client import CreateObject
+
+PROGID_GSPCIO='GSPCIOLib.GSPCIO'
+
+
+def main(args=None):
+ """Application entry"""
+ parser = argparse.ArgumentParser(
+ description='Read an SPC file using the Galactic GSPCIO COM library')
+ parser.add_argument('filename', help='Path to SPC file.')
+ parser.add_argument('--show-log', dest='showlogtext', action='store_true',
+ help='Emit the log text data lines.')
+ options = parser.parse_args(args)
+
+ gspcio = CreateObject(PROGID_GSPCIO)
+ gspcio.OpenFile(options.filename)
+ print(f"File has {gspcio.NumSubfiles} spectra with {gspcio.NumPoints} points")
+ print(f'Comment: "{gspcio.Comment}"')
+ print(f'Description: "{gspcio.GetLogKey("Description")}"')
+ if options.showlogtext:
+ print(f"LogText: ({gspcio.LogTextSize} bytes)")
+ index = 0
+ while True:
+ line, length = gspcio.GetLogLine(index)
+ if length < 0:
+ break
+ if line:
+ print(f' {line}')
+ else:
+ print(f'-- empty line {length} bytes reported')
+ index += 1
+
+ return 0
+
+
+if __name__ == '__main__':
+ sys.exit(main(sys.argv[1:]))
diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 0000000..a4654d2
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,3 @@
+[build-system]
+requires = ["setuptools >= 65.0"]
+build-backend = "setuptools.build_meta"
diff --git a/setup.cfg b/setup.cfg
new file mode 100644
index 0000000..3edcf39
--- /dev/null
+++ b/setup.cfg
@@ -0,0 +1,45 @@
+[metadata]
+name = renishaw_spc
+version = attr: spc.__version__
+description = Python access classes for Galactic SPC spectroscopy data files
+long_description = file: README.md
+author = Renishaw Spectroscopy
+author_email = Raman.Support@renishaw.com
+license = Apache Software License
+platforms = any
+classifiers =
+ Development Status :: 4 - Beta
+ Intended Audience :: Science/Research
+ License :: OSI Approved :: Apache Software License
+ Operating System :: OS Independent
+ Programming Language :: Python :: 3
+ Programming Language :: Python :: 3 :: Only
+ Programming Language :: Python :: 3.8
+ Programming Language :: Python :: 3.9
+ Programming Language :: Python :: 3.10
+ Programming Language :: Python :: 3.11
+ Programming Language :: Python :: 3.12
+ Topic :: Scientific/Engineering :: Physics
+
+[options]
+python_requires = >=3.8
+packages =
+ spc
+ spc.browser
+
+[options.entry_points]
+gui_scripts =
+ spcbrowser = spc.browser:main
+
+[options.extras_require]
+tools =
+ matplotlib >= 3.5.0
+ numpy >= 1.20.0
+
+[options.packages.find]
+exclude =
+ demos*
+ spc.test*
+
+[sdist]
+formats=zip
diff --git a/setup.py b/setup.py
new file mode 100644
index 0000000..b908cbe
--- /dev/null
+++ b/setup.py
@@ -0,0 +1,3 @@
+import setuptools
+
+setuptools.setup()
diff --git a/spc/__init__.py b/spc/__init__.py
new file mode 100644
index 0000000..6c09e9f
--- /dev/null
+++ b/spc/__init__.py
@@ -0,0 +1,29 @@
+# Copyright (c) 2024 Renishaw plc.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# https://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+
+"""Galactic SPC spectroscopy data file accessor classes"""
+
+
+__title__ = "renishaw_spc"
+__version__ = "1.0.0"
+__author__ = "Renishaw plc"
+__author_email__ = "Raman.Support@renishaw.com"
+__license__ = "Apache Software License"
+
+
+from .spcfile import (
+ SpcFile, SpcHdr, SpcIter)
+from .spcenums import (
+ SpcFlags, SpcTechnique, SpcModFlags, SubHdrFlags)
diff --git a/spc/spcenums.py b/spc/spcenums.py
new file mode 100644
index 0000000..aaf3b84
--- /dev/null
+++ b/spc/spcenums.py
@@ -0,0 +1,128 @@
+# Copyright (c) 2024 Renishaw plc.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# https://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+from enum import IntEnum, IntFlag
+
+
+class SpcFlags(IntFlag):
+ """Possible bit FTFLGS flag byte settings.
+
+ Note that TRANDM and TORDRD are mutually exclusive.
+ Code depends on TXVALS being the sign bit. TXYXYS must be 0 if TXVALS=0.
+ In old software without the fexper code, TCGRAM specifies a chromatogram."""
+
+ TNONE = 0
+
+ TSPREC = 1
+ """Single precision (16 bit) Y data if set."""
+
+ TCGRAM = 2
+ """Enables fexper in older software (CGM if fexper=0)"""
+
+ TMULTI = 4
+ """Multiple traces format (set if more than one subfile)"""
+
+ TRANDM = 8
+ """If TMULTI and TRANDM=1 then arbitrary time (Z) values"""
+
+ TORDRD = 16
+ """If TMULTI abd TORDRD=1 then ordered but uneven subtimes"""
+
+ TALABS = 32
+ """Set if should use fcatxt axis labels, not fxtype etc."""
+
+ TXYXYS = 64
+ """If TXVALS and multifile, then each subfile has own X's"""
+
+ TXVALS = 128
+ """Floating X value array preceeds Y's (New format only)"""
+
+
+class SpcTechnique(IntEnum):
+ """Instrument Technique fexper settings
+
+ In older software, the TCGRAM in ftflgs must be set if fexper is non-zero.
+ A general chromatogram is specified by a zero fexper when TCGRAM is set."""
+
+ SPCGEN = 0
+ """General SPC (could be anything)"""
+ SPCGC = 1
+ """Gas Chromatogram"""
+ SPCCGM = 2
+ """General Chromatogram (same as SPCGEN with TCGRAM)"""
+ SPCHPLC = 3
+ """HPLC Chromatogram"""
+ SPCFTIR = 4
+ """FT-IR, FT-NIR, FT-Raman Spectrum or Igram (Can also be used for scanning IR.)"""
+ SPCNIR = 5
+ """NIR Spectrum (Usually multi-spectral data sets for calibration.)"""
+ SPCUV = 7
+ """UV-VIS Spectrum (Can be used for single scanning UV-VIS-NIR.)"""
+ SPCXRY = 8
+ """X-ray Diffraction Spectrum"""
+ SPCMS = 9
+ """Mass Spectrum (Can be single, GC-MS, Continuum, Centroid or TOF.)"""
+ SPCNMR = 10
+ """NMR Spectrum or FID"""
+ SPCRMN = 11
+ """Raman Spectrum (Usually Diode Array, CCD, etc. use SPCFTIR for FT-Raman.)"""
+ SPCFLR = 12
+ """Fluorescence Spectrum"""
+ SPCATM = 13
+ """Atomic Spectrum"""
+ SPCDAD = 14
+ """Chromatography Diode Array Spectra"""
+
+
+class SpcModFlags(IntFlag):
+ """Spectral modifications flag setting conventions"""
+ Averaging = 1 << 1
+ """Averaging (from multiple source traces)"""
+ Baseline = 1 << 2
+ """Baseline correction or offset functions"""
+ Conversion = 1 << 3
+ """Interferogram to spectrum Computation"""
+ Derivative = 1 << 4
+ """Derivative (or integrate) functions"""
+ Enhancement = 1 << 6
+ """Resolution Enhancement functions (such as deconvolution)"""
+ Interpolation = 1 << 9
+ """Interpolation functions"""
+ Noise = 1 << 14
+ """Noise reduction smoothing"""
+ Other = 1 << 15
+ """Other functions (add, subtract, noise, etc.)"""
+ Subtraction = 1 << 19
+ """Spectral Subtraction"""
+ Truncation = 1 << 20
+ """Truncation (only a portion of original X axis remains)"""
+ When = 1 << 23
+ """When collected (date and time information) has been modified"""
+ Xunits = 1 << 24
+ """X units conversions or X shifting"""
+ Yunits = 1 << 25
+ """Y units conversions (transmission->absorbance, etc.)"""
+ Zap = 1 << 26
+ """Zap functions (features removed or modified)"""
+
+
+class SubHdrFlags(IntFlag):
+ SUBCHGD = 1
+ """Subflgs bit if subfile changed"""
+
+ SUBNOPT = 8
+ """Subflgs bit if peak table file should not be used"""
+
+ SUBMODF = 128
+ """Subflgs bit if subfile modified by arithmetic"""
diff --git a/spc/spcfile.py b/spc/spcfile.py
new file mode 100644
index 0000000..1ca640b
--- /dev/null
+++ b/spc/spcfile.py
@@ -0,0 +1,342 @@
+# Copyright (c) 2024 Renishaw plc.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# https://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+"""
+"""
+
+import struct
+from dataclasses import dataclass
+from datetime import datetime
+from enum import IntEnum, IntFlag
+from io import BufferedReader, BytesIO
+from os import SEEK_SET, SEEK_CUR
+from typing import Sequence
+from .spcenums import SpcFlags, SpcTechnique, SpcModFlags, SubHdrFlags
+
+
+def from_spc_date(fdate: int) -> datetime:
+ """Convert an SPC file timestamp to a Python datetime
+
+ Date/Time LSB: min=6b,hour=5b,day=5b,month=4b,year=12b"""
+ return fdate
+ print(hex(fdate), hex(fdate >> (32 - 12)))
+ year = ((fdate >> 25) & 0x3f) + 1980
+ month = (fdate >> 21) & 0x0f
+ day = (fdate >> 16) & 0x0f
+ hour = (fdate >> 11) & 0x1f
+ mins = (fdate >> 5) & 0x3f
+ secs = (fdate) & 0x1f
+ return datetime(year, month, day, hour=hour, minute=mins, second=secs)
+
+
+@dataclass
+class SpcHdr:
+ ftflgs: SpcFlags
+ """File flags from the SpcFlags enumeration"""
+ fversn: int
+ """0x4B=> new LSB 1st, 0x4C=> new MSB 1st, 0x4D=> old format"""
+ fexper: int
+ """Instrument technique code"""
+ fexp: int
+ """Fraction scaling exponent integer (80h=>float)"""
+ fnpts: int
+ """Integer number of points (or TXYXYS directory position)"""
+ ffirst: float
+ """Floating X coordinate of first point"""
+ flast: float
+ """Floating X coordinate of last point"""
+ fnsub: int
+ """Integer number of subfiles (1 if not TMULTI)"""
+ fxtype: int
+ """Type of X axis units"""
+ fytype: int
+ """Type of Y axis units"""
+ fztype: int
+ """Type of Z axis units"""
+ fpost: int
+ """Posting disposition (see GRAMSDDE.H)"""
+ fdate: datetime
+ """Date/Time LSB: min=6b,hour=5b,day=5b,month=4b,year=12b"""
+ fres: str # 9 bytes
+ """Resolution description text (null terminated)"""
+ fsource: str # 9 bytes
+ """Source instrument description text (null terminated)"""
+ fpeakpt: int
+ """Peak point number for interferograms (0=not known)"""
+ fcmnt: str # 130 bytes
+ """Null terminated comment ASCII text string"""
+ fcatxt: str # 30 bytes
+ """X,Y,Z axis label strings if ftflgs=TALABS"""
+ flogoff: int
+ """File offset to log block or 0 (see above)"""
+ fmods: SpcModFlags
+ """File Modification Flags (see below: 1=A,2=B,4=C,8=D..)"""
+ fprocs: int
+ """Processing code (see GRAMSDDE.H)"""
+ flevel: int
+ """Calibration level plus one (1 = not calibration data)"""
+ fsampin: int
+ """Sub-method sample injection number (1 = first or only )"""
+ ffactor: float
+ """Floating data multiplier concentration factor (IEEE-32)"""
+ fmethod: str # 48 bytes
+ """Method/program/data filename w/extensions comma list"""
+ fzinc: float
+ """Z subfile increment (0 = use 1st subnext-subfirst)"""
+ fwplanes: int
+ """Number of planes for 4D with W dimension (0=normal)"""
+ fwinc: float
+ """W plane increment (only if fwplanes is not 0)"""
+ fwtype: int
+ """Type of W axis units (see definitions below)"""
+
+ _PACKFMT = '<bbbbIddIbbbbI9s9sh32x130s30sIIbbhf48sfIfb187x'
+ _SIZE = 8 + 16 + 4 + 4 + 4 + 9 + 9 + 2 + 32 + 130 \
+ + 30 + 8 + 2 + 2 + 4 + 48 + 4 + 4 + 4 + 1 + 187
+
+ @staticmethod
+ def fromstream(stream: BytesIO) -> 'SpcHdr':
+ data = stream.read(SpcHdr._SIZE)
+ values = struct.unpack(SpcHdr._PACKFMT, data)
+ hdr = SpcHdr(*values)
+
+ hdr.ftflgs = SpcFlags(hdr.ftflgs)
+ hdr.fexper = SpcTechnique(hdr.fexper)
+ hdr.fmods = SpcModFlags(hdr.fmods)
+ hdr.fdate = from_spc_date(hdr.fdate)
+ for field in ('fres', 'fsource', 'fcmnt', 'fcatxt', 'fmethod'):
+ value = getattr(hdr, field)
+ setattr(hdr, field, value.strip(b'\0').decode('utf-8'))
+ return hdr
+
+
+@dataclass
+class SubHdr:
+ """This structure defines the subfile headers that preceed each trace in a
+ multi-type file. Note that for evenly-spaced files, subtime and subnext are
+ optional (and ignored) for all but the first subfile. The (subnext-subtime)
+ for the first subfile determines the Z spacing for all evenly-spaced subfiles.
+ For ordered and random multi files, subnext is normally set to match subtime.
+ However, for all types, the subindx must be correct for all subfiles.
+ This header must must always be present even if there is only one subfile.
+ However, if TMULTI is not set, then the subexp is ignored in favor of fexp.
+ Normally, subflgs and subnois are set to zero and are used internally."""
+
+ subflgs: SubHdrFlags
+ """flags"""
+
+ subexp: int
+ """Exponent for sub-file's Y values (80h=>float)"""
+
+ subindx: int
+ """Integer index number of trace subfile (0=first)"""
+
+ subtime: float
+ """Floating time for trace (Z axis corrdinate)"""
+
+ subnext: float
+ """Floating time for next trace (May be same as beg)"""
+
+ subnois: float
+ """Floating peak pick noise level if high byte nonzero"""
+
+ subnpts: int
+ """Integer number of subfile points for TXYXYS type"""
+
+ subscan: int
+ """Integer number of co-added scans or 0 (for collect)"""
+
+ subwlevel: float
+ """Floating W axis value (if fwplanes non-zero)"""
+
+ _PACKFMT = '<bbhfffIIf4x'
+ _SIZE = 32
+
+ @staticmethod
+ def fromstream(stream: BytesIO) -> 'SubHdr':
+ subhdr = SubHdr(struct.unpack(SubHdr._PACKFMT, stream.read(SubHdr._SIZE)))
+ subhdr.subflgs = SubHdrFlags(subhdr.subflgs)
+ return subhdr
+
+
+class SubFile:
+ """
+ s = SpCFile[0]
+ s[0:10] # ilist
+ len(s) is fnpts
+ s.index = hdr
+ """
+
+ def fromstream(stream: BytesIO) -> 'SubFile':
+ pass
+
+
+@dataclass
+class LogHdr:
+ """Log block header format.
+
+ This structure defines the header at the beginning of a flogoff block.
+ The logsizd should be large enough to hold the text and its ending zero.
+ The logsizm is normally set to be a multiple of 4096 and must be
+ greater than logsizd. It is normally set to the next larger multiple.
+ The logdsks section is a binary block which is not read into memory."""
+
+ logsizd: int
+ """byte size of disk block"""
+
+ logsizm: int
+ """byte size of memory block"""
+
+ logtxto: int
+ """byte offset to text"""
+
+ logbins: int
+ """byte size of binary area (immediately after logstc)"""
+
+ logdsks: int
+ """byte size of disk area (immediately after logbins)"""
+
+ _PACKFMT = '<IIIII44x'
+ _SIZE = 20 + 44
+
+ @staticmethod
+ def fromstream(stream: BytesIO) -> 'LogHdr':
+ values = struct.unpack(LogHdr._PACKFMT, stream.read(LogHdr._SIZE))
+ return LogHdr(*values)
+
+
+class SpcIter:
+ """Iterator for spectra in an SPC file."""
+ def __init__(self, parent, index=0):
+ self.parent = parent
+ self.index = index
+
+ def next(self):
+ """Python2 iterator support."""
+ return self.__next__()
+
+ def __next__(self):
+ if self.index >= len(self.parent):
+ raise StopIteration
+ result = self.parent[self.index]
+ self.index += 1
+ return result
+
+
+class SpcFile:
+
+ def __init__(self, path: str = None, mode: str = 'rb'):
+ self.path = path
+ self.stream = None
+ self.owned = False
+ self._hdr = None
+ self._datapos = None
+ self._datasize = None
+ self._loghdr = None
+ self._logtext = None
+ if path:
+ self.open(path, mode)
+
+ def open(self, path: str, mode: str = 'rb'):
+ """Open the specified path as an SPC file.
+
+ mode: provide the file access mode: 'rb' for read-only
+ or 'r+b' for read-write mode."""
+ self.path = path
+ self.open_stream(open(path, mode), owned=True)
+
+ def open_stream(self, stream: BytesIO, owned: bool = False):
+ self.stream = stream
+ self.owned = owned
+ hdr = SpcHdr.fromstream(stream)
+ self._hdr = hdr
+ if hdr.ftflgs & SpcFlags.TXVALS:
+ self._xlist = struct.unpack(
+ f'<{hdr.fnpts}f', stream.read(4 * hdr.fnpts))
+ else:
+ self._xlist = None
+ self._datapos = stream.tell()
+ self._datasize = SubHdr._SIZE + (hdr.fnpts * 4) # or 2 if flag.
+ stream.seek(hdr.fnsub * self._datasize, SEEK_CUR)
+ self._loghdr = LogHdr.fromstream(stream)
+
+ def close(self):
+ """Close the file stream (if owned by this object)"""
+ if self.owned:
+ self.stream.close()
+ self.stream = None
+
+ def __len__(self):
+ return self._hdr.fnsub
+
+ def __iter__(self):
+ return SpcIter(self)
+
+ def __getitem__(self, index):
+ """return the spectrum at specified index or slice"""
+ return self.spectrum(index)
+
+ def __enter__(self):
+ return self
+
+ def __exit__(self, vtype, value, traceback):
+ self.close()
+
+ @property
+ def xlist(self):
+ if not self._xlist:
+ interval = (self._hdr.flast - self._hdr.ffirst) / (self._hdr.fnpts - 1)
+ self._xlist = [self._hdr.ffirst + (n * interval) for n in range(self._hdr.fnpts)]
+ return self._xlist
+
+ @property
+ def comment(self) -> str:
+ return self._hdr.fcmnt
+
+ def subhdr(self, index: int) -> SubHdr:
+ self.stream.seek(self.datapos + (self._datasize * index), SEEK_SET)
+ return SubHdr.fromstream(self.stream)
+
+ def spectrum(self, index: int):
+ """Retrieve the spectrum values for the index-th spectrum.
+
+ If the index is an integer returns a single spectrum as a tuple of floats.
+ If the index is a slice object then returns a tuple of tuples for the set
+ of specified spectra."""
+ if isinstance(index, int):
+ start, stop, step = slice(index, None, None).indices(self._hdr.fnsub)
+ stop = start + 1
+ elif isinstance(index, slice):
+ start, stop, step = index.indices(self._hdr.fnsub)
+ else:
+ raise TypeError("spectrum index must be an integer or slice")
+
+ if start < 0 or stop > self._hdr.fnsub:
+ raise IndexError("spectrum index out of range")
+
+ result = []
+ for ndx in range(start, stop, step):
+ self.stream.seek(self._datapos + (self._datasize * ndx), SEEK_SET)
+ self.stream.seek(SubHdr._SIZE, SEEK_CUR) # skip subhdr
+ data = self.stream.read(self._hdr.fnpts * 4)
+ result.append(struct.unpack(f'{self._hdr.fnpts}f', data))
+ return result[0] if len(result) == 1 else tuple(result)
+
+ @property
+ def logtext(self):
+ if not self._logtext:
+ self.stream.seek(self._hdr.flogoff + LogHdr._SIZE, SEEK_SET)
+ data = self.stream.read(self._loghdr.logsizd)
+ self._logtext = data.strip(b'\0').decode('iso8859-1')
+ return self._logtext
diff --git a/spc/test/__init__.py b/spc/test/__init__.py
new file mode 100644
index 0000000..9184903
--- /dev/null
+++ b/spc/test/__init__.py
@@ -0,0 +1,13 @@
+# Copyright (c) 2022 Renishaw plc.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# https://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
diff --git a/spc/test/anatase.spc b/spc/test/anatase.spc
new file mode 100644
index 0000000..166d3b8
Binary files /dev/null and b/spc/test/anatase.spc differ
diff --git a/spc/test/benzene.spc b/spc/test/benzene.spc
new file mode 100644
index 0000000..12eeeef
Binary files /dev/null and b/spc/test/benzene.spc differ
diff --git a/spc/test/test_spcfile.py b/spc/test/test_spcfile.py
new file mode 100644
index 0000000..a85ea28
--- /dev/null
+++ b/spc/test/test_spcfile.py
@@ -0,0 +1,36 @@
+# Copyright (c) 2024 Renishaw plc.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# https://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+
+import unittest
+import os
+from ..spcfile import SpcFile
+
+
+class TestWdf(unittest.TestCase):
+ testfile = os.path.join(os.path.dirname(__file__), r'anatase.spc')
+
+ def test_with_spcfile(self):
+ with SpcFile(self.testfile) as data:
+ self.assertIsNotNone(data)
+ self.assertEqual(1, len(data))
+
+ def test_open(self):
+ data = SpcFile()
+ data.open(self.testfile)
+ data.close()
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/tox.ini b/tox.ini
new file mode 100644
index 0000000..86f2e19
--- /dev/null
+++ b/tox.ini
@@ -0,0 +1,27 @@
+[tox]
+envlist = py38, py39, py310, py311, py312, pypy310, pypy39, lint
+skip_missing_interpreters = True
+
+[testenv]
+setenv =
+ PYTHONPATH = {toxinidir};{toxinidir}/spc
+deps =
+ pytest
+commands =
+ py.test
+
+[testenv:lint]
+deps =
+ flake8
+commands =
+ flake8 spc demos
+
+[flake8]
+max-line-length = 110
+ignore =
+ # F401 Constants imported into __init__ are not used there but are exposed to users here.
+ F401
+ # W503 Line break before binary operator
+ W503
+ # E402 module level import not at top of file
+ E402