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rwestssun30
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fixup! enable use of non-surface charge transfer families
I presume this method was reintroduced by mistake during a rebase. It was removed in f695b05
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rmgpy/data/kinetics/family.py

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@@ -2636,30 +2636,6 @@ def get_kinetics(self, reaction, template_labels, degeneracy=1, estimator='', re
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return kinetics_list
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def estimate_kinetics_using_group_additivity(self, template, degeneracy=1):
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"""
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Determine the appropriate kinetics for a reaction with the given
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`template` using group additivity.
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Returns just the kinetics, or None.
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"""
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warnings.warn("Group additivity is no longer supported and may be"
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" removed in version 2.3.", DeprecationWarning)
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# Start with the generic kinetics of the top-level nodes
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kinetics = None
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root = self.get_root_template()
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kinetics = self.get_kinetics_for_template(root)
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if kinetics is None:
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# raise UndeterminableKineticsError('Cannot determine group additivity kinetics estimate for '
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# 'template "{0}".'.format(','.join([e.label for e in template])))
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return None
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else:
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kinetics = kinetics[0]
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# Now add in more specific corrections if possible
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return self.groups.estimate_kinetics_using_group_additivity(template, kinetics, degeneracy)
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def estimate_kinetics_using_rate_rules(self, template, degeneracy=1):
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"""
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Determine the appropriate kinetics for a reaction with the given

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