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Refactor substance helpers #612

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mattwthompson opened this issue Jan 23, 2025 · 0 comments
Open

Refactor substance helpers #612

mattwthompson opened this issue Jan 23, 2025 · 0 comments
Milestone
0.4.11

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@mattwthompson
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Is your feature request related to a problem? Please describe.

As Lily points out, BuildCoordinatesPackmol._rebuild_substance and Substance.to_substance_n_molecules could probably be
merged into a single method/function: #611 (comment)

Describe the solution you'd like

Refactor these two methods into one to reduce code redundancy.
@mattwthompson mattwthompson added this to the 0.4.11 milestone Jan 29, 2025
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