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fix bug in run_json for constraint type "xyz" #86

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merged 1 commit into from
Apr 18, 2019

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yudongqiu
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This PR addresses the bug discussed in #85

@@ -69,7 +69,7 @@ def test_convert_constraint_dict_full():
}
constraint_string = geometric.run_json.make_constraints_string(constraint_dict)
assert constraint_string == """$freeze
xyz 1 2 3 4 5
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This is actually a good example of the bug. The reference string here can not be correctly parsed by geomeTRIC.

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Codecov Report

Merging #86 into master will increase coverage by 0.01%.
The diff coverage is 100%.

@leeping
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leeping commented Apr 18, 2019

Thanks a lot, I'm merging the PR. :)

@leeping leeping merged commit 7c9a636 into leeping:master Apr 18, 2019
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3 participants