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port openstructure dependency from Eigen2 to Eigen3
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.
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- CMakeLists.txt 0 additions, 2 deletionsCMakeLists.txt
- modules/geom/src/vec3.cc 1 addition, 1 deletionmodules/geom/src/vec3.cc
- modules/gfx/src/impl/cartoon_renderer.cc 1 addition, 4 deletionsmodules/gfx/src/impl/cartoon_renderer.cc
- modules/mol/alg/src/superpose_frames.cc 2 additions, 5 deletionsmodules/mol/alg/src/superpose_frames.cc
- modules/mol/alg/src/svd_superpose.cc 20 additions, 25 deletionsmodules/mol/alg/src/svd_superpose.cc
- modules/mol/base/src/bounding_box.cc 1 addition, 1 deletionmodules/mol/base/src/bounding_box.cc
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