stjames 0.0.34__py3-none-any.whl → 0.0.35__py3-none-any.whl

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Files changed (6) hide show
  1. stjames/workflows/redox_potential.py +4 -2
  2. {stjames-0.0.34.dist-info → stjames-0.0.35.dist-info}/METADATA +1 -1
  3. {stjames-0.0.34.dist-info → stjames-0.0.35.dist-info}/RECORD +6 -6
  4. {stjames-0.0.34.dist-info → stjames-0.0.35.dist-info}/LICENSE +0 -0
  5. {stjames-0.0.34.dist-info → stjames-0.0.35.dist-info}/WHEEL +0 -0
  6. {stjames-0.0.34.dist-info → stjames-0.0.35.dist-info}/top_level.txt +0 -0
stjames/workflows/redox_potential.py CHANGED
@@ -28,8 +28,10 @@ class RedoxPotentialWorkflow(Workflow):
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  if self.redox_type == "oxidation":
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  self.oxidation = True
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  self.reduction = False
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- self.oxidation_potential = self.redox_potential
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+ if self.oxidation_potential is None:
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+ self.oxidation_potential = self.redox_potential
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  elif self.redox_type == "reduction":
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  self.oxidation = False
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  self.reduction = True
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- self.reduction_potential = self.redox_potential
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+ if self.reduction_potential is None:
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+ self.reduction_potential = self.redox_potential
{stjames-0.0.34.dist-info → stjames-0.0.35.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: stjames
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- Version: 0.0.34
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+ Version: 0.0.35
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  Summary: standardized JSON atom/molecule encoding scheme
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  Author-email: Corin Wagen <corin@rowansci.com>
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  Project-URL: Homepage, https://github.com/rowansci/stjames
{stjames-0.0.34.dist-info → stjames-0.0.35.dist-info}/RECORD RENAMED
@@ -22,12 +22,12 @@ stjames/workflows/__init__.py,sha256=TibQzeD3X3YGq9TaAzPlBMxU7zskFoa8PwPUam4TcZY
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  stjames/workflows/conformer.py,sha256=tqACquXy8wqIbxl3T-n4dfNNNkVdLos2dIG1u0CV8cc,2169
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  stjames/workflows/fukui.py,sha256=FAabgLi_ig6Zp_jiTkuveP0wAObwv68liuumr85rb0g,366
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  stjames/workflows/pka.py,sha256=zpR90Yv2L-D56o2mGArM8027DWpnFFnay31UR9Xh5Nc,774
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- stjames/workflows/redox_potential.py,sha256=5CApMfltVRrPKilGwW1_rKhA5HoL75ZSIOCVv90aN6k,1107
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+ stjames/workflows/redox_potential.py,sha256=iPkFt1Dj1sUywS9pLSEBVpCjHZcEwUESluY0ggLii8A,1213
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  stjames/workflows/scan.py,sha256=d1ca1uk1nxdzlSwqMLZ0W1_DHyrQMnHJmvPfziCS0SA,773
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  stjames/workflows/tautomer.py,sha256=kZSCHo2Q7LzqtQjF_WyyxjECkndG49T9QOM12hsUkx8,421
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  stjames/workflows/workflow.py,sha256=jzkHO8mdmoy9zW3iD457KAXYrCCkV2OHjg6T3896nCQ,304
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- stjames-0.0.34.dist-info/LICENSE,sha256=i7ehYBS-6gGmbTcgU4mgk28pyOx2kScJ0kcx8n7bWLM,1084
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- stjames-0.0.34.dist-info/METADATA,sha256=Yv7Q-jpvJKU1wcU5VELqXUNcJks_EpOeDZBFDytihZc,1626
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- stjames-0.0.34.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
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- stjames-0.0.34.dist-info/top_level.txt,sha256=FYCwxl6quhYOAgG-mnPQcCK8vsVM7B8rIUrO-WrQ_PI,8
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- stjames-0.0.34.dist-info/RECORD,,
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+ stjames-0.0.35.dist-info/LICENSE,sha256=i7ehYBS-6gGmbTcgU4mgk28pyOx2kScJ0kcx8n7bWLM,1084
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+ stjames-0.0.35.dist-info/METADATA,sha256=Hk0XDUPqTndq0PHE98rDpNPXWPdbunZa_nVGwAIK_84,1626
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+ stjames-0.0.35.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
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+ stjames-0.0.35.dist-info/top_level.txt,sha256=FYCwxl6quhYOAgG-mnPQcCK8vsVM7B8rIUrO-WrQ_PI,8
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+ stjames-0.0.35.dist-info/RECORD,,