Add single-walled nanotube creation via 2D→cylindrical folding#275
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Add single-walled nanotube creation via 2D-to-cylindrical folding
Add single-walled nanotube creation via 2D→cylindrical folding
Jun 1, 2026
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VsevolodX
June 1, 2026 00:04
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Adds
create_nanotube()tomade, constructing single-walled nanotubes by folding a 2D nanoribbon into a cylinder — the same builder-chain pattern used for nanoribbons.Approach
_fold_to_nanotube(): maps nanoribbon y-coordinates (width dimension) to angular positionθ = 2π(y − y_min)/C, wrapping atoms onto a cylinder of radiusR = C/2π(z − z_center)radial offset term generalizes correctly to multilayer materialsa= tube axis length (unchanged),b = c = 2R + vacuum_around_tubeNew module:
pristine_structures/one_dimensional/nanotube/NanotubeConfiguration— wrapsNanoribbonConfiguration+vacuum_around_tubeNanotubeBuilder—BaseSingleBuildersubclass;_generate()delegates toNanoribbonBuilder,_post_process()applies the cylindrical foldcreate_nanotube()— convenience function (main API)Usage