- Jul 27, 2012
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Ansgar Philippsen authored
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Ansgar Philippsen authored
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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.
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Ansgar Philippsen authored
fixed Transform SetMatrix behaviour fixed Transform unit tests fixed mol.Transform proxy added Transform.Apply(Transform)
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Marco Biasini authored
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- Jul 26, 2012
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studga00 authored
behaviour in GaussianSmooth function in table class
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Marco Biasini authored
Instead of doing a.GetFloatProp('foo'), feel free to use a.foo. a.foo = 3.0 will create a new float property 'foo'. This commit is brought to you by ZSO Pilatus
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Marco Biasini authored
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Gabriel Studer authored
to the editor. still messy and no unit tests...
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Bienchen authored
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Ansgar Philippsen authored
corrected in-code occurences of mol/transform.hh, mol::Transform, and mol.Transform to geom equivalents The mol/transform.hh header still exists and typedefs geom.Transform to mol.Transform; however, including it will give you a deprecation warning; please observe these warning in your code and change your Transforms to geom::
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Ansgar Philippsen authored
The Transform class was moved from the mol module to the geom module. A typedef was put into the mol namespace in C++, and a similar alias was put into the mol python module, with an added deprecation warning.
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Valerio Mariani authored
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Valerio Mariani authored
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Marco Biasini authored
The idea was to speed up the build process by removing several unneccessary targets and stage all headers in one go. However, for some reason, CMake does not think that's a good idea. Only parts of the headers get staged
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Marco Biasini authored
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Marco Biasini authored
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- Jul 25, 2012
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Marco Biasini authored
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Marco Biasini authored
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Ansgar Philippsen authored
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Marco Biasini authored
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Marco Biasini authored
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Marco Biasini authored
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Andreas Schenk authored
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Andreas Schenk authored
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Marco Biasini authored
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Marco Biasini authored
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- Jul 22, 2012
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Marco Biasini authored
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- Jul 21, 2012
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Marco Biasini authored
The segfault was showing up when using the sequence viewer in an application without a GostyApp instance.
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Marco Biasini authored
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- Jul 20, 2012
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Marco Biasini authored
There is no short-circuit logic in Python and division by zero gets raised when abs(rr)==0.
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Bienchen authored
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Marco Biasini authored
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- Jul 19, 2012
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Andreas Schenk authored
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Andreas Schenk authored
folder because it breaks the make clean command
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Bienchen authored
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- Jul 18, 2012
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Ansgar Philippsen authored
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Gabriel Studer authored
and a function GaussianSmooth is added
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- Jul 14, 2012
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Valerio Mariani authored
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- Jul 13, 2012
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Andreas Schenk authored
fixed some DLLEXPORTs for exceptions based ost:Error on std::runtime_error (avoids string member in ost::Error)
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