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  1. Jul 27, 2012
    • Ansgar Philippsen's avatar
      fixed transform py export · f26a1043
      Ansgar Philippsen authored
      f26a1043
    • Ansgar Philippsen's avatar
    • Ansgar Philippsen's avatar
      EntityHandle interface change! Also refactored EntityImpl to use Transform handle transformations · 6fcf40d9
      Ansgar Philippsen authored
      the internal representation of a transformation for EntityImpl was changed from Mat4 to Transform
      in preparation for adding transformations to entity views; this impacts quite a few higher-level routines
      that used the transformation matrix, which now can use the more elegant Transform::Apply method instead;
      
      GetTransformationMatrix and IsTransformationIdentity methods in the EntityHandle interface are marked
      as deprecated; use GetTransform and HasTransform instead. In addition, there is a ClearTransform method
      which ensures that the internal has_transform flag gets set to false
      
      geom::Transform was extended to offer ApplyInverse, and matrix inversion exceptions are handled internally
      
      constructing a Vec3 from a Vec4 no longer throws a DivideByZero error when w is close to zero, instead it
      is silently assumed that this is not a true homogeneous coordinate conversion
      
      as an additional comment (and note to self), atom->GetPos always returns transformed positions; however,
      GetAltPos returns original positions, and original positions are also stored in the AtomGroup on the
      Impl level. Both the mol unit test as well as the PDB writer expect this behavior; the PDB writer applies
      the transform after calling GetAltPos. Commented code is in place now to change this behavior, i.e. have
      GetAltPos return transformed positions, making it consistent with GetPos, should this be desired.
      6fcf40d9
    • Ansgar Philippsen's avatar
      fixes for new Transform code · 817e92ea
      Ansgar Philippsen authored
      fixed Transform SetMatrix behaviour
      fixed Transform unit tests
      fixed mol.Transform proxy
      added Transform.Apply(Transform)
      817e92ea
    • Marco Biasini's avatar
      better setattr · b69637e0
      Marco Biasini authored
      b69637e0
  2. Jul 26, 2012
  3. Jul 25, 2012
  4. Jul 22, 2012
  5. Jul 21, 2012
  6. Jul 20, 2012
  7. Jul 19, 2012
  8. Jul 18, 2012
  9. Jul 14, 2012
  10. Jul 13, 2012
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