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Fix MolFile Atom Line List Writer #471

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merged 3 commits into from
Apr 7, 2015

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bp-kelley
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Only the first element in the atom one was being
written correctly, the remainder were not being
padded correctly and could not be round tripped.

Brian Kelley added 3 commits April 5, 2015 20:47
Only the first element in the atom one was being
written correctly, the remainder were not being
padded correctly and could not be round tripped.
greglandrum added a commit that referenced this pull request Apr 7, 2015
@greglandrum greglandrum merged commit 88bb1d1 into rdkit:master Apr 7, 2015
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Astonishing that this one has remained un-caught for so long. Thanks for that Brian.

@bp-kelley bp-kelley deleted the fix/sd-atom-line-list-writer branch April 7, 2015 12:20
@greglandrum greglandrum modified the milestone: 2015_03_1 Apr 11, 2015
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2 participants