Merge pull request #1294 from drewejohnson/capt-branch-tol

Add a litle tolerance for capture branching ratios
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Paul Romano 2019-07-16 22:10:54 -05:00 committed by GitHub
commit 1f0e0bfcec
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@ -484,14 +484,9 @@ class Chain(object):
def set_capture_branches(self, branch_ratios, strict=True):
"""Set the capture branching ratios
``branch_ratios`` may be modified in place, only to
insert missing ground state reactions. These will be
inserted only if:
1) There is no branch directly to a ground state
target, and
2) The sum of all ratios on this branch does not
equal 1.
To provide a buffer around floating point precisions,
the sum of all branching ratios from a single parent
cannot be greater than 1.00001.
Parameters
----------
@ -568,7 +563,7 @@ class Chain(object):
capt_ix_map[parent] = indexes
this_sum = sum(sub.values())
check_less_than(parent + " ratios", this_sum, 1.0, True)
check_less_than(parent + " ratios", this_sum, 1.00001)
sums[parent] = this_sum
if len(missing_parents) > 0: