- Nov 26, 2019
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Studer Gabriel authored
import_array() must be called when the numpy C-API is called. This is a macro that in our case defined a return value that makes the compiler complain. The added #define statement enforces no return value
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- May 27, 2019
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Studer Gabriel authored
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- Mar 02, 2015
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Studer Gabriel authored
wrong branch, big sorry This reverts commit e77d08a6.
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Studer Gabriel authored
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- Nov 11, 2013
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Gabriel Studer authored
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- Apr 06, 2013
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Marco Biasini authored
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- Jan 04, 2013
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Ansgar Philippsen authored
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- Nov 21, 2012
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Gabriel Studer authored
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- Nov 02, 2012
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Gabriel Studer authored
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- Oct 14, 2012
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Marco Biasini authored
Fixes BZDNG-416
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- Jul 27, 2012
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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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- Jul 26, 2012
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studga00 authored
behaviour in GaussianSmooth function in table class
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Gabriel Studer authored
to the editor. still messy and no unit tests...
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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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- Feb 22, 2012
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Gabriel Studer authored
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- Nov 15, 2011
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Niklaus Johner authored
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- Oct 28, 2011
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Tobias Schmidt authored
added option to rotate all atoms of a torsion or just specified one; removed legacy Set/RotateAngle from TorsionHandle which is in ICSEditor
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- Aug 02, 2011
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Bienchen authored
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- Jul 28, 2011
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Bienchen authored
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- Jun 12, 2011
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Ansgar Philippsen authored
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- May 12, 2011
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Bienchen authored
Fixed bug BZDNG-212 (RenameResidue(ResidueHandle, new_name) is missing in EditorBase), added documentation for Rename[Atom|Chain|Residue] functions as well as unit tests. Made some tests compatible with Python 2.4.
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- Feb 21, 2011
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Ansgar Philippsen authored
various related cleanups and optimizations: - removed superfluous sort in load_dcd - added explicit *TransformedPos() methods to complement *Pos() methods (XCSEditor, AtomHandle, AtomImpl) - changed getter/setter logic for AtomImpl Name, TransformedPos and OriginalPos to direct access, deprecated GetName and removed Get*Pos and Set*Pos
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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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- Nov 04, 2010
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Marco Biasini authored
This finishes changes started in the mem-optimize branch to remove the AtomProp class from the public interface.
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- Oct 30, 2010
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Marco Biasini authored
Request(ICS|XCS)Editor is still available in python but marked as deprecated. Also add unit tests to check behaviour of EntityHandle.Copy() and CreateEntityFromView()
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- Jul 31, 2010
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Ansgar Philippsen authored
added QueryFlags handling to mol::QueryViewWrapper fixed empty pov output (caused by multiple renderer problem in gfx::Entity impl) removed GLEW_VERSION_2_0 tokens various tiny gfx tweaks added stereo toggling key to gui ('=') added residue reordering to mol::EntityEditor
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- Apr 22, 2010
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tobias authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2106 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Feb 26, 2010
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1742 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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