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molssi-seamm / seamm_util

Utility classes and functions that support other MolSSI tools
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Feature formal charges #30

Closed seamm closed 4 years ago

seamm commented 4 years ago

Added handling of formal charges to the molfile reader and writer so that e.g. [Na+].[Cl-] works as expected.

codecov[bot] commented 4 years ago

Codecov Report

Merging #30 into master will decrease coverage by 0.21%. The diff coverage is 28.00%.