add dedicated SMILES column to compound widget

eugenemel / maven

Maven GUI: Metabolomics Analysis and Visualization Engine

https://github.com/eugenemel/maven/releases

GNU General Public License v3.0

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add dedicated SMILES column to compound widget #148

Closed PMSeitzer closed 4 years ago

PMSeitzer commented 4 years ago

Currently, the molecular formula column is being overloaded to write SMILES, if it exists. Instead, create a new separate column for SMILES, and keep only molecular formulas in the molecular formula column.

PMSeitzer commented 4 years ago

Implemented as of ef75b8f053e8d3fe55ad3bc5ff37cbacbc998982