uibcdf / MolSysMT

Open source library to work with molecular systems
https://www.uibcdf.org/MolSysMT/
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basic.select method can be faster when `element` is diferent from 'atom' and `syntax='MolSysMT'` #110

Open dprada opened 7 months ago

dprada commented 7 months ago

When a selection is done with element different from 'atom' over a molecular system with a foreign form, multiple conversions are executed and can be avoided. For instance:

The process can be optimized with a single conversion in case syntax='MolSysMT'.