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Added data for N3sH2 group.
For some reason, there was no data for this group despite there being a Platts group. Allows ammonia unit test to pass.
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input/solvation/groups/abraham.py

Lines changed: 8 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -595,8 +595,14 @@
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2 H u0 {1,S}
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3 H u0 {1,S}
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""",
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solute = None,
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shortDesc = u"""""",
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solute = SoluteData(
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S = 0.175,
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B = 0.481,
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E = 0.085,
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L = 0.781,
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A = 0.0,
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),
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shortDesc = u"""Platts fragment 10 -NH2-aliphatic""",
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longDesc =
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u"""
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