Merge branch 'master' into master

Photon-HDF5 · May 19, 2024 · 7ed3981 · 7ed3981
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diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml
@@ -0,0 +1,123 @@
+name: Tests
+
+on:
+  push:
+    branch:
+      - master
+      - setuptools_scm
+    pull_request:
+      branch:
+        - master
+jobs:
+  build:
+    runs-on: ${{matrix.os}}
+    strategy:
+      matrix:
+        os: [ubuntu-latest, windows-latest, macos-13, macos-14, ]
+        python-version: ["3.7", "3.8", "3.9", "3.10", "3.11", "3.12"]
+        exclude:
+          - os: macos-14
+            python-version: "3.7"
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          persist-credentials: false
+          fetch-depth: 0
+      # # - name: Setup Python ${{matrix.python-version}}
+      # #   uses: actions/setup-python@v4
+      # #   with:
+      # #     python-version: ${{matrix.python-version}}
+      # # - name: Upgrade pip
+      # #   run: python -m pip install --upgrade pip
+      # # - name: Windows 3.6 Oddities
+      # #   if: matrix.python-version == 3.6 && runner.os == 'Windows'
+      # #   run: python -m pip install pwintypy==1.1.6
+      - name: Install Conda
+        uses: conda-incubator/setup-miniconda@v3
+        with:
+           auto-update-conda: true
+           channels: conda-forge
+           python-version: ${{matrix.python-version}}
+           activate-environment: test
+      - name: Apple Silicon oddities
+        if: matrix.os == 'macos-14'
+        run: |
+          brew install c-blosc hdf5
+          export HDF5_DIR=/opt/homebrew/opt/hdf5
+          export BLOSC_DIR=/opt/homebrew/opt/c-blosc
+      # # - name: Install Conda (old fashioned way)
+      # #   if: matrix.os == 'macos-14'
+      # #   run: |
+      # #     wget https://repo.anaconda.com/miniconda/Miniconda3-latest-MacOSX-x86_64.sh -O ~/miniconda.sh
+      # #     bash ~/miniconda.sh -b -p $HOME/miniconda
+      # #     export PATH="$HOME/miniconda/bin:$PATH"
+      # #     source $HOME/miniconda/bin/activate
+      # #     conda config --set always_yes yes --set changeps1 no
+      # #     conda init --all
+      # #     conda create -n test python=${{matrix.python-version}}
+      # #     conda activate test
+      - name: Test conda instalation
+        shell: bash -l {0}
+        run: conda info
+      - name: Install Dependencies
+        shell: bash -l {0}
+        run: |
+          python -m pip install --upgrade pip
+          python -m pip install setuptools build
+          # python -m pip install numpy tables matplotlib pandas
+          conda install numpy cython pytest
+          conda install pytables matplotlib pandas numba
+      - name: build phconvert
+        shell: bash -l {0}
+        run: |
+          pip install .
+      - name: Download files Unix
+        shell: bash -l {0}
+        if: runner.os!= 'Windows'
+        run: |
+          cd notebooks/data
+          wget https://ndownloader.figshare.com/files/3350666 -O dsdna_d7d17_50_50_1.set
+          wget https://ndownloader.figshare.com/files/3350669 -O dsdna_d7d17_50_50_1.spc
+          wget https://ndownloader.figshare.com/files/3350672 -O Pre.ht3
+          wget https://ndownloader.figshare.com/files/3350663 -O 0023uLRpitc_NTP_20dT_0.5GndCl.sm
+          wget https://github.com/Photon-HDF5/phconvert/files/231343/Cy3.Cy5_diff_PIE-FRET.ptu.zip
+          unzip Cy3.Cy5_diff_PIE-FRET.ptu.zip
+          wget https://ndownloader.figshare.com/files/6955091 -O 161128_DM1_50pM_pH74.ptu
+          wget https://ndownloader.figshare.com/files/14828594 -O 20161027_DM1_1nM_pH7_20MHz1.ptu
+          wget https://ndownloader.figshare.com/files/13675271 -O TestFile_2.ptu
+          wget https://ndownloader.figshare.com/files/14850533 -O trace_T2_300s_1_coincidence.ptu
+          wget https://ndownloader.figshare.com/files/14890535 -O nanodiamant_histo.phu
+          wget https://github.com/dwaithe/FCS_point_correlator/raw/master/focuspoint/topfluorPE_2_1_1_1.pt3
+          wget https://github.com/Photon-HDF5/phconvert/files/1380341/DNA_FRET_0.5nM.pt3.zip
+          unzip DNA_FRET_0.5nM.pt3.zip
+          wget https://github.com/Photon-HDF5/phconvert/files/1336330/data.zip
+          unzip data.zip
+          cd ../..
+      - name: Downlid files Windows
+        shell: bash -l {0}
+        if: runner.os == 'Windows'
+        run: |
+          cd notebooks/data
+          curl.exe -L --output Cy3.Cy5_diff_PIE-FRET.ptu.zip --url https://github.com/Photon-HDF5/phconvert/files/231343/Cy3.Cy5_diff_PIE-FRET.ptu.zip
+          7z e Cy3.Cy5_diff_PIE-FRET.ptu.zip
+          curl.exe -L --output dsdna_d7d17_50_50_1.set --url https://ndownloader.figshare.com/files/3350666
+          curl.exe -L --output dsdna_d7d17_50_50_1.spc --url https://ndownloader.figshare.com/files/3350669
+          curl.exe -L --output Pre.ht3 --url https://ndownloader.figshare.com/files/3350672
+          curl.exe -L --output 0023uLRpitc_NTP_20dT_0.5GndCl.sm --url https://ndownloader.figshare.com/files/3350663
+          curl.exe -L --output 161128_DM1_50pM_pH74.ptu --url https://ndownloader.figshare.com/files/6955091
+          curl.exe -L --output 20161027_DM1_1nM_pH7_20MHz1.ptu --url https://ndownloader.figshare.com/files/14828594
+          curl.exe -L --output TestFile_2.ptu --url https://ndownloader.figshare.com/files/13675271
+          curl.exe -L --output trace_T2_300s_1_coincidence.ptu --url https://ndownloader.figshare.com/files/14850533
+          curl.exe -L --output nanodiamant_histo.phu --url https://ndownloader.figshare.com/files/14890535
+          curl.exe -L --output topfluorPE_2_1_1_1.pt3 --url https://github.com/dwaithe/FCS_point_correlator/raw/master/focuspoint/topfluorPE_2_1_1_1.pt3
+          curl.exe -L --output DNA_FRET_0.5nM.pt3.zip --url https://github.com/Photon-HDF5/phconvert/files/1380341/DNA_FRET_0.5nM.pt3.zip
+          7z e DNA_FRET_0.5nM.pt3.zip
+          cd ..
+          cd ..
+      - name: Test project
+        shell: bash -l {0}
+        run: |
+          pytest
+          # pip install pyyaml
+          # python -m tests/nbrun.py /notebooks/*
+        
diff --git a/phconvert/bhreader.py b/phconvert/bhreader.py
@@ -92,75 +92,75 @@ def load_spc(fname, spc_model='SPC-630'):
         (timestamps_unit).
     """
 
-    f = open(fname, 'rb')
-
-    if ('630' in spc_model) or ('600' in spc_model):
-
-        # We first decode the first 6 bytes which is a header...
-        header = np.fromfile(f, dtype='u2', count=3)
-        timestamps_unit = header[1] * 0.1e-9
-        num_routing_bits = np.bitwise_and(header[0], 0x000F)  # unused
-
-        # ...and then the remaining records containing the photon data
-        spc_dtype = np.dtype([('field0', '<u2'), ('b', '<u1'), ('c', '<u1'),
-                              ('a', '<u2')])
-        data = np.fromfile(f, dtype=spc_dtype)
-
-        nanotime = 4095 - np.bitwise_and(data['field0'], 0x0FFF)
-        detector = data['c']
-
-        # Build the macrotime (timestamps) using in-place operation for efficiency
-        timestamps = data['b'].astype('int64')
-        np.left_shift(timestamps, 16, out=timestamps)
-        timestamps += data['a']
-
-        # extract the 13-th bit from data['field0']
-        overflow = np.bitwise_and(np.right_shift(data['field0'], 13), 1)
-        overflow = np.cumsum(overflow, dtype='int64')
-
-        # Add the overflow bits
-        timestamps += np.left_shift(overflow, 24)
-
-    elif ('SPC-1' in spc_model) or ('SPC-830' in spc_model):
-        # We first decode the first 4 bytes which is a header...
-        header = np.fromfile(f, dtype='u4', count=1)[0]
-        timestamps_unit = np.bitwise_and(header, 0x00FFFFFF) * 0.1e-9
-        num_routing_bits = np.bitwise_and(np.right_shift(header, 32), 0x78)  # unused
-
-        # ...and then the remaining records containing the photon data
-        spc_dtype = np.dtype([('field0', '<u2'), ('field1', '<u2')])
-        data = np.fromfile(f, dtype=spc_dtype)
-
-        nanotime = 4095 - np.bitwise_and(data['field1'], 0x0FFF)
-        detector = np.bitwise_and(np.right_shift(data['field0'], 12), 0x0F)
-
-        # Build the macrotime
-        timestamps = np.bitwise_and(data['field0'], 0x0FFF).astype(dtype='int64')
-
-        # Extract the various status bits
-        mark = np.bitwise_and(np.right_shift(data['field1'], 12), 0x01)
-        gap = np.bitwise_and(np.right_shift(data['field1'], 13), 0x01)
-        overflow = np.bitwise_and(np.right_shift(data['field1'], 14), 0x01).\
-            astype(dtype='int64')
-        invalid = np.bitwise_and(np.right_shift(data['field1'], 15), 0x01)
-
-        # Invalid bytes: number of overflows from the last detected photon
-        for i_ovf in np.nonzero(overflow)[0].tolist():
-            if invalid[i_ovf]:
-                overflow[i_ovf] = np.left_shift(np.bitwise_and(
-                    data['field1'][i_ovf], 0x0FFF), 16)\
-                    + data['field0'][i_ovf]
-
-        # Each overflow occurs every 2^12 macrotimes
-        overflow = np.left_shift(np.cumsum(overflow), 12)
-
-        # Add the overflow bits
-        timestamps += overflow
-
-        # Delete invalid entries
-        nanotime = np.delete(nanotime, invalid.nonzero())
-        timestamps = np.delete(timestamps, invalid.nonzero())
-        detector = np.delete(detector, invalid.nonzero())
+    with open(fname, 'rb') as f:
+
+        if ('630' in spc_model) or ('600' in spc_model):
+    
+            # We first decode the first 6 bytes which is a header...
+            header = np.fromfile(f, dtype='u2', count=3)
+            timestamps_unit = header[1] * 0.1e-9
+            num_routing_bits = np.bitwise_and(header[0], 0x000F)  # unused
+    
+            # ...and then the remaining records containing the photon data
+            spc_dtype = np.dtype([('field0', '<u2'), ('b', '<u1'), ('c', '<u1'),
+                                  ('a', '<u2')])
+            data = np.fromfile(f, dtype=spc_dtype)
+    
+            nanotime = 4095 - np.bitwise_and(data['field0'], 0x0FFF)
+            detector = data['c']
+    
+            # Build the macrotime (timestamps) using in-place operation for efficiency
+            timestamps = data['b'].astype('int64')
+            np.left_shift(timestamps, 16, out=timestamps)
+            timestamps += data['a']
+    
+            # extract the 13-th bit from data['field0']
+            overflow = np.bitwise_and(np.right_shift(data['field0'], 13), 1)
+            overflow = np.cumsum(overflow, dtype='int64')
+    
+            # Add the overflow bits
+            timestamps += np.left_shift(overflow, 24)
+    
+        elif ('SPC-1' in spc_model) or ('SPC-830' in spc_model):
+            # We first decode the first 4 bytes which is a header...
+            header = np.fromfile(f, dtype='u4', count=1)[0]
+            timestamps_unit = np.bitwise_and(header, 0x00FFFFFF) * 0.1e-9
+            num_routing_bits = np.bitwise_and(np.right_shift(header, 32), 0x78)  # unused
+    
+            # ...and then the remaining records containing the photon data
+            spc_dtype = np.dtype([('field0', '<u2'), ('field1', '<u2')])
+            data = np.fromfile(f, dtype=spc_dtype)
+    
+            nanotime = 4095 - np.bitwise_and(data['field1'], 0x0FFF)
+            detector = np.bitwise_and(np.right_shift(data['field0'], 12), 0x0F)
+    
+            # Build the macrotime
+            timestamps = np.bitwise_and(data['field0'], 0x0FFF).astype(dtype='int64')
+    
+            # Extract the various status bits
+            mark = np.bitwise_and(np.right_shift(data['field1'], 12), 0x01)
+            gap = np.bitwise_and(np.right_shift(data['field1'], 13), 0x01)
+            overflow = np.bitwise_and(np.right_shift(data['field1'], 14), 0x01).\
+                astype(dtype='int64')
+            invalid = np.bitwise_and(np.right_shift(data['field1'], 15), 0x01)
+    
+            # Invalid bytes: number of overflows from the last detected photon
+            for i_ovf in np.nonzero(overflow)[0].tolist():
+                if invalid[i_ovf]:
+                    overflow[i_ovf] = np.left_shift(np.bitwise_and(
+                        data['field1'][i_ovf], 0x0FFF), 16)\
+                        + data['field0'][i_ovf]
+    
+            # Each overflow occurs every 2^12 macrotimes
+            overflow = np.left_shift(np.cumsum(overflow), 12)
+    
+            # Add the overflow bits
+            timestamps += overflow
+    
+            # Delete invalid entries
+            nanotime = np.delete(nanotime, invalid.nonzero())
+            timestamps = np.delete(timestamps, invalid.nonzero())
+            detector = np.delete(detector, invalid.nonzero())
 
     return timestamps, detector, nanotime, timestamps_unit
 

diff --git a/phconvert/pqreader.py b/phconvert/pqreader.py
@@ -75,6 +75,8 @@
     rtTimeHarp260NT2 = 0x00010205,  # (SubID = $00 ,RecFmt: $01) (V1), T-Mode: $02 (T2), HW: $05 (TimeHarp260N)
     rtTimeHarp260PT3 = 0x00010306,  # (SubID = $00 ,RecFmt: $01) (V1), T-Mode: $03 (T3), HW: $06 (TimeHarp260P)
     rtTimeHarp260PT2 = 0x00010206,  # (SubID = $00 ,RecFmt: $01) (V1), T-Mode: $02 (T2), HW: $06 (TimeHarp260P)
+    rtMultiHarpNT3   = 0x00010307,  # (SubID = $00 ,RecFmt: $01) (V1), T-Mode: $02 (T3), HW: $07 (MultiHarp150N)
+    rtMultiHarpNT2   = 0x00010207,  # (SubID = $00 ,RecFmt: $01) (V1), T-Mode: $02 (T2), HW: $07 (MultiHarp150N))
     )
 
 # Reverse mappings
@@ -120,7 +122,7 @@ def load_ptu(filename, ovcfunc=None):
         detectors, timestamps, nanotimes = process_t3records(
             t3records, time_bit=10, dtime_bit=15, ch_bit=6, special_bit=True,
             ovcfunc=_correct_overflow_nsync)
-    elif record_type in ('rtHydraHarp2T2', 'rtTimeHarp260NT2','rtTimeHarp260PT2'):
+    elif record_type in ('rtHydraHarp2T2', 'rtTimeHarp260NT2','rtTimeHarp260PT2', 'rtMultiHarpNT3'):
         detectors, timestamps = process_t2records(t3records,
                 time_bit=25, ch_bit=6, special_bit=True,
                 ovcfunc=_correct_overflow_nsync)

diff --git a/pyproject.toml b/pyproject.toml
@@ -0,0 +1,49 @@
+[build-system]
+requires = [
+    "setuptools>=42", 
+    "versioneer"
+    ]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "phconvert"
+dynamic = ["version"]
+authors = [
+    {name="Antonino Ingargiola", email="tritemio@gmail.com"}, 
+    {name="Paul David Harris", email="harripd@gmail.com"}
+    ]
+description = "Convert Beker&Hickl, PicoQuant and other formats to Photon-HDF5."
+readme = "README.md"
+license = {file = "LICENSE.txt"}
+keywords = [
+    "single-molecule FRET", 
+    "smFRET", 
+    "biophysics", 
+    "file-format", 
+    "HDF5", 
+    "Photon-HDF5"
+    ]
+classifiers = [
+    "Intended Audience :: Science/Research",
+    "Operating System :: OS Independent",
+    "Programming Language :: Python",
+    "Programming Language :: Python:: 3",
+    "Programming Language :: Python :: 3.6",
+    "Programming Language :: Python :: 3.7",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Topic :: Scientific/Engineering",
+    ]
+requires-python = ">= 3.6"
+dependencies = [
+    "numpy>=1.19",
+    "tables"
+    ]
+
+[project.urls]
+Homepage = "http://photon-hdf5.github.io/phconvert/"
+Documentation = "https://phconvert.readthedocs.io/en/latest/"
+Repositors = "https://github.com/Photon-HDF5/phconvert"
+Issues = "https://github.com/Photon-HDF5/phconvert/issues"