libgunshotmatch 0.7.0__py3-none-any.whl → 0.7.1__py3-none-any.whl

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Files changed (8) hide show
  1. libgunshotmatch/__init__.py +1 -1
  2. libgunshotmatch/consolidate/__init__.py +1 -1
  3. libgunshotmatch/peak.py +9 -4
  4. {libgunshotmatch-0.7.0.dist-info → libgunshotmatch-0.7.1.dist-info}/METADATA +2 -2
  5. {libgunshotmatch-0.7.0.dist-info → libgunshotmatch-0.7.1.dist-info}/RECORD +8 -8
  6. {libgunshotmatch-0.7.0.dist-info → libgunshotmatch-0.7.1.dist-info}/LICENSE +0 -0
  7. {libgunshotmatch-0.7.0.dist-info → libgunshotmatch-0.7.1.dist-info}/WHEEL +0 -0
  8. {libgunshotmatch-0.7.0.dist-info → libgunshotmatch-0.7.1.dist-info}/entry_points.txt +0 -0
libgunshotmatch/__init__.py CHANGED
@@ -29,5 +29,5 @@ Base library for GunShotMatch.
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  __author__: str = "Dominic Davis-Foster"
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  __copyright__: str = "2020-2023 Dominic Davis-Foster"
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  __license__: str = "MIT License"
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- __version__: str = "0.7.0"
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+ __version__: str = "0.7.1"
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  __email__: str = "dominic@davis-foster.co.uk"
libgunshotmatch/consolidate/__init__.py CHANGED
@@ -476,7 +476,7 @@ class ConsolidatedPeak:
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  return cls(
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  rt_list=d["rt_list"],
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  area_list=d["area_list"],
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- ms_list=d["ms_list"],
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+ ms_list=[MassSpectrum.from_dict(msd) for msd in d["ms_list"]],
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  meta=d["meta"],
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  ms_comparison=d["ms_comparison"],
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  hits=hits,
libgunshotmatch/peak.py CHANGED
@@ -422,15 +422,20 @@ def write_alignment(
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  )
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  rt_alignment = alignment.get_peak_alignment(require_all_expr=require_all_datafiles)
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- rt_alignment.to_json(output_dir_p / f"{project_name}_alignment_rt.json")
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+ rt_alignment_filename = output_dir_p / f"{project_name}_alignment_rt.json"
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+ rt_alignment_filename.write_clean(rt_alignment)
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  area_alignment = alignment.get_area_alignment(require_all_expr=require_all_datafiles)
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- area_alignment.to_json(output_dir_p / f"{project_name}_alignment_area.json")
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+ area_alignment_filename = output_dir_p / f"{project_name}_alignment_area.json"
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+ area_alignment_filename.write_clean(area_alignment)
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  ms_alignment = alignment.get_ms_alignment(require_all_expr=require_all_datafiles)
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  # ms_alignment.to_json(output_dir_p / 'alignment_ms.json')
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- with (output_dir_p / f"{project_name}_alignment_ms.json").open('w') as fp:
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- sdjson.dump(ms_alignment.to_dict(), fp)
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+ alignment_ms_filename = (output_dir_p / f"{project_name}_alignment_ms.json")
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+ alignment_ms_filename.dump_json(
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+ ms_alignment.to_dict(),
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+ json_library=sdjson, # type: ignore
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+ )
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  def filter_aligned_peaks(
{libgunshotmatch-0.7.0.dist-info → libgunshotmatch-0.7.1.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: libgunshotmatch
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- Version: 0.7.0
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+ Version: 0.7.1
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  Summary: Base library for GunShotMatch.
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  Author-email: Dominic Davis-Foster <dominic@davis-foster.co.uk>
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  License: MIT
@@ -135,7 +135,7 @@ libgunshotmatch
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  .. |language| image:: https://img.shields.io/github/languages/top/GunShotMatch/libgunshotmatch
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  :alt: GitHub top language
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- .. |commits-since| image:: https://img.shields.io/github/commits-since/GunShotMatch/libgunshotmatch/v0.7.0
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+ .. |commits-since| image:: https://img.shields.io/github/commits-since/GunShotMatch/libgunshotmatch/v0.7.1
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  :target: https://github.com/GunShotMatch/libgunshotmatch/pulse
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  :alt: GitHub commits since tagged version
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{libgunshotmatch-0.7.0.dist-info → libgunshotmatch-0.7.1.dist-info}/RECORD RENAMED
@@ -1,18 +1,18 @@
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- libgunshotmatch/consolidate/__init__.py,sha256=bFfxfF4MH9LMUCK4q2Js2z11ZR28qeJDpRU9a5KOHyA,22793
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+ libgunshotmatch/consolidate/__init__.py,sha256=gOqPqFcoSkVob8hKOpcNobK84yADyCwB3UNBPJM3vAc,22834
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  libgunshotmatch/consolidate/_fields.py,sha256=7gPIQaFaFySLZFrIuSMjwS84WEBHxZhCNhpXATlYjVw,2691
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  libgunshotmatch/consolidate/_spectra.py,sha256=7q_xVPN_oASayLdyMDjwaBLG4maIybHCqkGhiMIO940,2343
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  libgunshotmatch/method/__init__.py,sha256=k0Hs3c5Q13CENQHGtHVeDW2jQtR6UtiB1IVf_77lCT4,9432
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  libgunshotmatch/method/_fields.py,sha256=GQNw9GdGhy9c_-0U_31eJDTXr1sG5_t5Lh0Z_nzE0RE,5025
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- libgunshotmatch/__init__.py,sha256=Wa_XWwEkwdPshh55gJ_sG0ldqCBUrsQwxy_McW5oe90,1433
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+ libgunshotmatch/__init__.py,sha256=7QhxNRtPqOz7VBUPCKPF9uaMe4uR0nnuoshgiINneig,1433
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  libgunshotmatch/datafile.py,sha256=sKCatM0F3fmceHQYObwgYr3EX9whKA0U2lOj-xqLt4c,16276
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  libgunshotmatch/gzip_util.py,sha256=vVGZLAhW1WmENt2kDXMY68UR72MHvsCBPaB-xCyVYbg,2250
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- libgunshotmatch/peak.py,sha256=KUg3FHZzi6Zhd3fMGwWiM_52WfSlqNiBuXTDycxjLgk,16605
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+ libgunshotmatch/peak.py,sha256=pn8eYS8dfBOCjCRr-rciU3v9k1EREvH6jYqQibdjdok,16777
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  libgunshotmatch/project.py,sha256=t4YLCTKA1YYeRMiaXNz1-k21wYTtidN9FJM4aN9-rbw,6474
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  libgunshotmatch/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  libgunshotmatch/search.py,sha256=qjIXuTo3OqvC_zSLdwZkEDHfza064iYCTZzGeAZoW5s,3137
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  libgunshotmatch/utils.py,sha256=H-Ikm6oEGCgRoPvuCo3H5p1iKz3B9PuUqcpcH-rhgYA,4917
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- libgunshotmatch-0.7.0.dist-info/LICENSE,sha256=bFtJt-lyVJHV-88FeFa_r3BEOsmpna5qG2KOl9JUNfU,1064
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- libgunshotmatch-0.7.0.dist-info/METADATA,sha256=djIuHu9-vRX-U1Q4d83qRWMN3SEHWZ5G33r8kqIaZFc,6392
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- libgunshotmatch-0.7.0.dist-info/WHEEL,sha256=3vSnEhs48RUlSXcCXKCl4DOHs_qqaP2dU3IGkMqN2oI,84
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- libgunshotmatch-0.7.0.dist-info/entry_points.txt,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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- libgunshotmatch-0.7.0.dist-info/RECORD,,
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+ libgunshotmatch-0.7.1.dist-info/LICENSE,sha256=bFtJt-lyVJHV-88FeFa_r3BEOsmpna5qG2KOl9JUNfU,1064
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+ libgunshotmatch-0.7.1.dist-info/METADATA,sha256=rvRV47dgFsu7xqyZQ6OukhBY9icHJ7KpqD3QvjXwVEc,6392
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+ libgunshotmatch-0.7.1.dist-info/WHEEL,sha256=3vSnEhs48RUlSXcCXKCl4DOHs_qqaP2dU3IGkMqN2oI,84
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+ libgunshotmatch-0.7.1.dist-info/entry_points.txt,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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+ libgunshotmatch-0.7.1.dist-info/RECORD,,