TensorView for MATLAB: Visualizing tensors with Euler angle decoding

Leo Svenningsson; Leonard J Mueller

doi:10.1016/j.ssnmr.2022.101849

TensorView for MATLAB: Visualizing tensors with Euler angle decoding

Solid State Nucl Magn Reson. 2023 Feb:123:101849. doi: 10.1016/j.ssnmr.2022.101849. Epub 2022 Dec 21.

Authors

Leo Svenningsson¹, Leonard J Mueller²

Affiliations

¹ Division of Physical Chemistry, Lund University, Lund, Sweden. Electronic address: leo.svenningsson@fkem1.lu.se.
² Department of Chemistry, University of California, Riverside, CA, USA. Electronic address: leonard.mueller@ucr.edu.

Abstract

TensorView for MATLAB is a GUI-based visualization tool for depicting second-rank Cartesian tensors as surfaces on three-dimensional molecular models. Both ellipsoid and ovaloid tensor display formats are supported, and the software allows for easy conversion of Euler angles from common rotation schemes (active, passive, ZXZ, and ZYZ conventions) with visual feedback. In addition, the software displays all four orientation-equivalent Euler angle solutions for the placement of a single tensor in the molecular frame and can report relative orientations of two tensors with all 16 orientation-equivalent Euler angle sets that relate them. The salient relations are derived and illustrated through several examples. TensorView for MATLAB expands and complements the earlier implementation of TensorView within the Mathematica programming environment and can be run without a MATLAB license. TensorView for MATLAB is available through github at https://github.com/LeoSvenningsson/TensorViewforMatlab, and can also be accessed directly via the NMRbox resource.

Keywords: Euler angle conversions; Molecular visualization; Relative orientation; Rotation; tensor.

Abstract

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