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Studer Gabriel authored
changes: -GetPrincipalAxes in Vec3List Results with Eigen3 have been verified with 10 randomly picked pdb structures. Differences only occur with changing signs of the vectors. -CalcPrincipalAxis in BoundingBox No difference in algorithm, the SelfAdjointEigenSolver no lives in Eigenvalues. Does in principal the same thing as the function above, just using different functionality. -SVD superposer Unit tests still run through with the changes introduced for Eigen3 and also manual testing seems to work well. -CartoonRenderer Principal axes calculation for rendering helices as cylinders had to be adapted. Rendering looks exactly the same... -SuperposeFrames Not yet tested... ToDo: numeric.h and levenberg_marquardt.h in the img/alg module have to be ported. This will be done in the next few days.
Studer Gabriel authoredchanges: -GetPrincipalAxes in Vec3List Results with Eigen3 have been verified with 10 randomly picked pdb structures. Differences only occur with changing signs of the vectors. -CalcPrincipalAxis in BoundingBox No difference in algorithm, the SelfAdjointEigenSolver no lives in Eigenvalues. Does in principal the same thing as the function above, just using different functionality. -SVD superposer Unit tests still run through with the changes introduced for Eigen3 and also manual testing seems to work well. -CartoonRenderer Principal axes calculation for rendering helices as cylinders had to be adapted. Rendering looks exactly the same... -SuperposeFrames Not yet tested... ToDo: numeric.h and levenberg_marquardt.h in the img/alg module have to be ported. This will be done in the next few days.
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