modules/mol/alg/src/trajectory_analysis.cc · 7cdd43909b35bcf6b529d04e59a6e354d66738e4 · schwede / openstructure

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11 years ago

Modified the Vec3List::FitCylinder function to also return the radius · 7cdd4390

Niklaus Johner authored 11 years ago

of the fitted cylinder. The input was also changed from taking both a direction
and center as initial guess to just the direction. The center is guessed from
the geometrical center of the atoms and fitted during the optimization
procedure.

7cdd4390

History

Modified the Vec3List::FitCylinder function to also return the radius

Niklaus Johner authored 11 years ago

of the fitted cylinder. The input was also changed from taking both a direction
and center as initial guess to just the direction. The center is guessed from
the geometrical center of the atoms and fitted during the optimization
procedure.

trajectory_analysis.cc 16.29 KiB