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- Added support for RMSD PEANUT rendering in the ORTEP3D structure. - Introduced new classes and functions for handling PEANUT atom instances and their rendering. - Updated tests to validate the new rendering styles and ensure correct behavior of PEANUT atoms. - Enhanced ADP handling with new functions for creating RMSD PEANUT surfaces and principal frames. - Updated structure settings to include parameters for PEANUT rendering.
…nhanced rendering
…sts for consistency
…ndpoint alignment with atom surfaces
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This pull request introduces comprehensive support for RMS displacement PEANUT surfaces as an alternative to probability ellipsoids in the rendering options and documentation. It also adds several new configuration options for customizing PEANUT surface appearance and exposes new metrics in the benchmarking suite for more detailed performance analysis. Documentation and UI labels have been updated to reflect these new features and to clarify the distinction between physical surface types and their presentation styles.
Major new features and improvements:
PEANUT Surface Support and Configuration
adpRepresentationoption to select between probability ellipsoid (ellipsoid) and RMS displacement PEANUT (rmsd-peanut) surfaces, with associated documentation and UI labels. [1] [2] [3] [4] [5] [6] [7] [8] [9]peanutScale,peanutMeridianCount,peanutLatitudeIntervals,peanutGridPoleAxis, andpeanutGridLineWidthfor fine-grained control over the PEANUT surface grid and appearance. [1] [2] [3] [4]adpRepresentation(physical surface) andrenderStyle(presentation), and to describe the new PEANUT options and their effects. [1] [2] [3]Benchmarking and Metrics
benchmark/speed.mjsandbenchmark/lib/browser-harness.mjsto accept and report new options (--render-style,--adp-representation,--peanut-grid-pole-axis) and to output new metrics: geometry count, texture count, unique GPU attribute bytes, and JS heap usage. [1] [2] [3] [4] [5] [6] [7]Documentation and UI Improvements
selection.haloWidthoption for customizing the width of the 2D selection halo, with corresponding documentation and UI label. (F26140a8L22R22, [1] [2]These changes collectively make the rendering system more flexible and informative, and improve both developer and user experience when working with advanced ADP surface representations.