reciprocalspaceship 1.0.0__py3-none-any.whl → 1.0.2__py3-none-any.whl

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Files changed (41) hide show
  1. reciprocalspaceship/VERSION +1 -1
  2. reciprocalspaceship/__init__.py +1 -0
  3. reciprocalspaceship/algorithms/scale_merged_intensities.py +8 -7
  4. reciprocalspaceship/commandline/mtzdump.py +0 -1
  5. reciprocalspaceship/dataset.py +7 -1
  6. reciprocalspaceship/decorators.py +2 -2
  7. reciprocalspaceship/dtypes/__init__.py +16 -14
  8. reciprocalspaceship/dtypes/base.py +21 -266
  9. reciprocalspaceship/dtypes/floating.py +691 -0
  10. reciprocalspaceship/dtypes/integer.py +537 -0
  11. reciprocalspaceship/dtypes/internals.py +1365 -0
  12. reciprocalspaceship/io/__init__.py +7 -1
  13. reciprocalspaceship/io/crystfel.py +568 -234
  14. reciprocalspaceship/io/mtz.py +25 -0
  15. reciprocalspaceship/stats/completeness.py +0 -1
  16. reciprocalspaceship/utils/__init__.py +6 -1
  17. reciprocalspaceship/utils/asu.py +6 -0
  18. reciprocalspaceship/utils/cell.py +5 -0
  19. reciprocalspaceship/utils/stats.py +5 -7
  20. reciprocalspaceship/utils/structurefactors.py +5 -0
  21. reciprocalspaceship/utils/units.py +14 -4
  22. {reciprocalspaceship-1.0.0.dist-info → reciprocalspaceship-1.0.2.dist-info}/METADATA +26 -28
  23. reciprocalspaceship-1.0.2.dist-info/RECORD +58 -0
  24. {reciprocalspaceship-1.0.0.dist-info → reciprocalspaceship-1.0.2.dist-info}/WHEEL +1 -1
  25. {reciprocalspaceship-1.0.0.dist-info → reciprocalspaceship-1.0.2.dist-info}/entry_points.txt +0 -1
  26. tests/test_dataseries.py +1 -1
  27. tests/test_dataset_preserve_attributes.py +3 -9
  28. reciprocalspaceship/dtypes/anomalousdifference.py +0 -25
  29. reciprocalspaceship/dtypes/batch.py +0 -25
  30. reciprocalspaceship/dtypes/hklindex.py +0 -23
  31. reciprocalspaceship/dtypes/intensity.py +0 -47
  32. reciprocalspaceship/dtypes/m_isym.py +0 -25
  33. reciprocalspaceship/dtypes/mtzint.py +0 -23
  34. reciprocalspaceship/dtypes/mtzreal.py +0 -25
  35. reciprocalspaceship/dtypes/phase.py +0 -50
  36. reciprocalspaceship/dtypes/stddev.py +0 -69
  37. reciprocalspaceship/dtypes/structurefactor.py +0 -72
  38. reciprocalspaceship/dtypes/weight.py +0 -25
  39. reciprocalspaceship-1.0.0.dist-info/RECORD +0 -66
  40. {reciprocalspaceship-1.0.0.dist-info → reciprocalspaceship-1.0.2.dist-info}/LICENSE +0 -0
  41. {reciprocalspaceship-1.0.0.dist-info → reciprocalspaceship-1.0.2.dist-info}/top_level.txt +0 -0
reciprocalspaceship/dtypes/structurefactor.py DELETED
@@ -1,72 +0,0 @@
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- from pandas.core.dtypes.dtypes import register_extension_dtype
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-
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- from reciprocalspaceship.dtypes.base import MTZFloat32Dtype, MTZFloatArray
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-
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-
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- @register_extension_dtype
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- class StructureFactorAmplitudeDtype(MTZFloat32Dtype):
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- """Dtype for structure factor amplitude data"""
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-
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- name = "SFAmplitude"
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- mtztype = "F"
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-
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- def is_friedel_dtype(self):
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- return False
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-
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- @classmethod
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- def construct_array_type(cls):
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- return StructureFactorAmplitudeArray
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-
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-
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- class StructureFactorAmplitudeArray(MTZFloatArray):
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- """ExtensionArray for supporting StructureFactorAmplitudeDtype"""
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-
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- _dtype = StructureFactorAmplitudeDtype()
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- pass
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-
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-
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- @register_extension_dtype
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- class FriedelStructureFactorAmplitudeDtype(MTZFloat32Dtype):
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- """
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- Dtype for structure factor amplitude data from Friedel pairs --
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- F(+) or F(-)
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- """
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-
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- name = "FriedelSFAmplitude"
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- mtztype = "G"
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-
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- def is_friedel_dtype(self):
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- return True
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-
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- @classmethod
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- def construct_array_type(cls):
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- return FriedelStructureFactorAmplitudeArray
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-
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-
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- class FriedelStructureFactorAmplitudeArray(MTZFloatArray):
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- """ExtensionArray for supporting FriedelStructureFactorAmplitudeDtype"""
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-
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- _dtype = FriedelStructureFactorAmplitudeDtype()
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- pass
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-
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-
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- @register_extension_dtype
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- class NormalizedStructureFactorAmplitudeDtype(MTZFloat32Dtype):
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- """Dtype for normalized structure factor amplitude data"""
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-
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- name = "NormalizedSFAmplitude"
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- mtztype = "E"
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-
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- def is_friedel_dtype(self):
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- return False
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-
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- @classmethod
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- def construct_array_type(cls):
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- return NormalizedStructureFactorAmplitudeArray
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-
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-
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- class NormalizedStructureFactorAmplitudeArray(MTZFloatArray):
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- """ExtensionArray for supporting NormalizedStructureFactorAmplitudeDtype"""
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-
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- _dtype = NormalizedStructureFactorAmplitudeDtype()
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- pass
reciprocalspaceship/dtypes/weight.py DELETED
@@ -1,25 +0,0 @@
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- from pandas.core.dtypes.dtypes import register_extension_dtype
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-
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- from reciprocalspaceship.dtypes.base import MTZFloat32Dtype, MTZFloatArray
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-
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-
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- @register_extension_dtype
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- class WeightDtype(MTZFloat32Dtype):
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- """Dtype for representing weights"""
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-
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- name = "Weight"
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- mtztype = "W"
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-
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- def is_friedel_dtype(self):
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- return False
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-
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- @classmethod
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- def construct_array_type(cls):
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- return WeightArray
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-
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-
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- class WeightArray(MTZFloatArray):
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- """ExtensionArray for supporting WeightDtype"""
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-
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- _dtype = WeightDtype()
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- pass
reciprocalspaceship-1.0.0.dist-info/RECORD DELETED
@@ -1,66 +0,0 @@
1
- reciprocalspaceship/VERSION,sha256=WYVJhIUxBN9cNT4vaBoV_HkkdC-aLkaMKa8kjc5FzgM,6
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- reciprocalspaceship/__init__.py,sha256=-FeM4tYuiF_lT_lVlgCmgTMKIuZXM869ugSyOFr8HkE,1828
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- reciprocalspaceship/concat.py,sha256=v2eg8-RBiNLYHkkPDeaozh3HvGCaFbmlC15FaeNJMgY,1695
4
- reciprocalspaceship/dataseries.py,sha256=ibU1bHMd8zORFxRtDswtvLh_n-miAyBqO0ghLmY29Js,6188
5
- reciprocalspaceship/dataset.py,sha256=_48tG7qiWvQb2PxBevTuwtqPMt06-TudwuUKufFPiSs,56790
6
- reciprocalspaceship/decorators.py,sha256=pMdbyH6_VAPGz5K4rUVXQ2zsjvN_TbPaPaO930ANmi0,5592
7
- reciprocalspaceship/algorithms/__init__.py,sha256=r5IYCGswTHXpSs9Q7c6PfEz8_P8d1fEei2SyTkp5aYY,258
8
- reciprocalspaceship/algorithms/intensity.py,sha256=iDHaqqrMAe0v-aTVT5jf54JwkNQLSQ7HhezPw6qZndg,2657
9
- reciprocalspaceship/algorithms/merge.py,sha256=iwPrDfjtliBwLqEzHbcIfoTkvS_0s2_CszS5IfrEUXI,2154
10
- reciprocalspaceship/algorithms/scale_merged_intensities.py,sha256=hliqToBoz9CHluC6FtgMARDOQc1RG87H8IIUuHEgBno,11130
11
- reciprocalspaceship/commandline/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
12
- reciprocalspaceship/commandline/mtzdump.py,sha256=W_c5Qdh37ICubaBzOBb2FlPy469SQusMjSMKkQP7hmI,2940
13
- reciprocalspaceship/dtypes/__init__.py,sha256=BpAokcDF9xDlhcPhoL1Xj-d5TRoUkTC9M8l3FHvp7Js,1422
14
- reciprocalspaceship/dtypes/anomalousdifference.py,sha256=7t5yuHDNtvKV45lwakn1dtkRm4bF57ifY8TCHbTgJHE,646
15
- reciprocalspaceship/dtypes/base.py,sha256=RUuF_Xr6EDchuRXXzXceKXwyr23zGr3T8VHU-gLcs7Y,9070
16
- reciprocalspaceship/dtypes/batch.py,sha256=Mh7QY0ZWM2brVnwHBkzmLBoXUgYxDONNieS7v27NOTg,542
17
- reciprocalspaceship/dtypes/hklindex.py,sha256=whwGt2U9_W12yRNw9n1i4ZcZyKRX9PxtuNvJUZqxf88,499
18
- reciprocalspaceship/dtypes/inference.py,sha256=jLgF8VfKtITGRzQbfeyZzEoJ1fQlbHXB_gXIJ9-AQxk,3029
19
- reciprocalspaceship/dtypes/intensity.py,sha256=6XyYDYweUmoN-CZItXzVYYq9a-n6Vx5M0XvpHAHohrg,1055
20
- reciprocalspaceship/dtypes/m_isym.py,sha256=p65zWCv2pj6vcofcy0asDWZOhJ7o86KCPKV3nCb7pn8,548
21
- reciprocalspaceship/dtypes/mtzint.py,sha256=LIJ9et6T0Zi-Bec35eSGgts-M163YOXbilXQGTIpiTQ,489
22
- reciprocalspaceship/dtypes/mtzreal.py,sha256=egQNbRV3jBDNva0axdWe5LuyI0lBJYDlq-t9xpktZ8Y,549
23
- reciprocalspaceship/dtypes/phase.py,sha256=nLpohACLViy0f2tuuJ0ICnXiOZEqA-VD_r31bgccCbo,1115
24
- reciprocalspaceship/dtypes/stddev.py,sha256=z7jlOOihLAUilHolkgUbcg343fwC_Y_Z0NJdDP8tSTM,1672
25
- reciprocalspaceship/dtypes/structurefactor.py,sha256=m5ROCTjU5KBum1UXooxJV6Vq-Gr_LQCcDes5lQTmUm8,1828
26
- reciprocalspaceship/dtypes/summarize.py,sha256=1w6-N3odFcI3ZEQP5qgrog6ucbGjO71vSgabmjklkbc,1114
27
- reciprocalspaceship/dtypes/weight.py,sha256=uRLrEkjQporWOy0RdjlDYPhbv9--lQv-4SX-KWHqRvg,542
28
- reciprocalspaceship/io/__init__.py,sha256=XeWSGYpjdp_3uinGDHSUQtwTBdmHqm0AHqz0u-XiqNI,365
29
- reciprocalspaceship/io/ccp4map.py,sha256=yztiHPTdyR9FiCKRg-eVmL-_MyZTKThPI9uuHuuPF_0,1029
30
- reciprocalspaceship/io/crystfel.py,sha256=sFuMqlcgkWEa9LBNFZSajbZb66dvSsRdmhyvSqCMEIA,8695
31
- reciprocalspaceship/io/csv.py,sha256=A2ZnqAnFwFUQskF7_3EsQAPCcrJ5KEgjhZls6MDViv8,1194
32
- reciprocalspaceship/io/mtz.py,sha256=IwJABmYMJZUt5n4xNCo256PlAlCSQIA8VJS8v9RJxIM,7431
33
- reciprocalspaceship/io/pickle.py,sha256=clnSTK8T2O_d7midS_E54WHmXEHrL10d386gWx7ztsM,818
34
- reciprocalspaceship/io/precognition.py,sha256=DWRE2erXPVpm9-y5DjIWUHfmv9jZcsqoa47ienp1Sao,3641
35
- reciprocalspaceship/stats/__init__.py,sha256=jdAWbpD_CKAn0W0sO_MKSnTu3bZSoLAXgb1_Y6jDMzk,197
36
- reciprocalspaceship/stats/completeness.py,sha256=Sjva5ABAbEWjMx74yPlbFalvCsEPTUp4sBZQhBRxdTw,6703
37
- reciprocalspaceship/utils/__init__.py,sha256=IS3C9L1IAFnyzK4wSXGl49AWsOM5Yq1WLx83iZ9K0HU,1665
38
- reciprocalspaceship/utils/asu.py,sha256=M7WLLBV-OjDxf5fpLdZlEJByFrO2cW7SKDgLPvafi7o,8453
39
- reciprocalspaceship/utils/binning.py,sha256=CHf5z8EsHSg34ZgC-yM_8Gd3D2BB8cqTtHAf7vwfgLo,2786
40
- reciprocalspaceship/utils/cell.py,sha256=GtPjtonimLHGcM9wnREOpdLTu_9JuwNltA2j5DPMiS0,1893
41
- reciprocalspaceship/utils/grid.py,sha256=xB7sw1xrhgzFojrVHbC_uVBT3NMTBsvKsCqaRrVfvTQ,1893
42
- reciprocalspaceship/utils/math.py,sha256=m6Iq9u0fjiieftzjQPAEHTN2htBIOwLhBCJdrcIN5Ao,1019
43
- reciprocalspaceship/utils/phases.py,sha256=zyiE99bq-TV_4aI6ZhBi4MLAvKwE3Sx1dFqppJL5rkE,2438
44
- reciprocalspaceship/utils/rfree.py,sha256=qFgepLOfgdU-cvZIMu8WfzlFExTc4jILff2ro7iu8FQ,3411
45
- reciprocalspaceship/utils/stats.py,sha256=1ShlFe3PogRq4rfmlL_ks6J2qkB2TCxVHdMgil3d0a0,3689
46
- reciprocalspaceship/utils/structurefactors.py,sha256=xybipMkn61jr6rNANZW7ZXau04zNRtBOaqdr81ZiD9U,3526
47
- reciprocalspaceship/utils/symmetry.py,sha256=xsYmEUo0PTH57-kctJdUq_-k14ci5LUGeG5LwzmjjPU,2963
48
- reciprocalspaceship/utils/units.py,sha256=e6bLfED1LcDdMyOI7G09ZDBD8HlBYlZbjup5e0GM8ss,217
49
- tests/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
50
- tests/conftest.py,sha256=bQZClqzu3lonsI01OdP5X38asMd7F76fAGzlWWYPXAI,3930
51
- tests/test_dataseries.py,sha256=2mzzW_SdTsGnyr5cOhjuLLccnUlE_XaFWuvTS_xcWII,3304
52
- tests/test_dataset.py,sha256=dMFW6-pCs1rjIYEqbfstVqFRiYwKfz5rHlncVL9grQg,22231
53
- tests/test_dataset_anomalous.py,sha256=LQb1inSS_oDbVYEIyyx_GBFAkXGlEQYZ-ZhpwMeyMmQ,6963
54
- tests/test_dataset_binning.py,sha256=NgD_vy-TUh3vQrUVgysVBSZu75xN66LR6hRu2_qAUTs,3564
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- tests/test_dataset_grid.py,sha256=S2EswVAbcg08WT9TjLtQ3YF1_zJmEKcucHrN3Lw5EM8,4086
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- tests/test_dataset_index.py,sha256=-6sMVgAKkkcYRc7UfLuVEH3p7D83o1S7e7c6MbrOrZo,2842
57
- tests/test_dataset_preserve_attributes.py,sha256=9yg-2dJhS-zO1eCBSTWSOLBwnNvGILz-hnjStXIGJok,5458
58
- tests/test_dataset_symops.py,sha256=PV86tLu1qDACuk-YqjYQszk8Ctb0-h_NsQRnuCDFnOU,10864
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- tests/test_decorators.py,sha256=ExR7mCU0iIqhHo4ho6ywPrZIEaGcsElaI4jtH9o5afE,5331
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- tests/test_summarize_mtz_dtypes.py,sha256=JE0ctXMWii1AV-cmKogF6hjb8NCHrgvxNZ0ZRCHh-Ho,696
61
- reciprocalspaceship-1.0.0.dist-info/LICENSE,sha256=E22aZlYy5qJsJCJ94EkO_Vt3COio5UcLg59dZLPam7I,1093
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- reciprocalspaceship-1.0.0.dist-info/METADATA,sha256=rX2TEXSwAnCMP8Ef1kwJZ3LWHc1I8_jOrFXkXY0B1T8,3067
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- reciprocalspaceship-1.0.0.dist-info/WHEEL,sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo,92
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- reciprocalspaceship-1.0.0.dist-info/entry_points.txt,sha256=E2msBLAQZuAfS8Bk_fdzZTLFgQR-l5AlwhPiL_ip1Z0,77
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- reciprocalspaceship-1.0.0.dist-info/top_level.txt,sha256=tOo679MsLFS7iwiYZDwnKTuTpJLYVFBk6g9xnnB_s-w,26
66
- reciprocalspaceship-1.0.0.dist-info/RECORD,,