- Nov 15, 2012
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Valerio Mariani authored
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- Nov 14, 2012
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Gabriel Studer authored
parameters of RenumberChain function.
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Gabriel Studer authored
with the requested editor. Attention: Interface of RenumberChain has slightly changed.
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- Nov 12, 2012
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Andreas Schenk authored
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Andreas Schenk authored
changed python unit tests to run with python instead of ost Remarks ------- Python unit tests using blast, clustalw or the compound lib where skipped on my system. There might be still some missing imports in these tests.
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- Nov 11, 2012
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Andreas Schenk authored
Changed in detail: ------------------ - removed DEPRECATED and unused code (slice and row pointers) in value holder - switched from new allocatd array to std::vector - removed explicit data initialization loop - using size_t instead of unsigned int for memory allocation - removed padding code - removed try catch(...) statements - added overflow check for big volumes - optimized 3D index to linear index calculation - removed physical extent for spatial domain (identical to logical extend not that padding is gone) - switched FFT to out of place transforms Benefits -------- - memory for large images is correctly allocated - if the memory can't be allocated an exception is thrown instead of crashing the program - speed increase for FFT ca. 12% and for algorithms using direct value access (e.g. Stat) ca. 7% Issues ----- - FFTs are not out of place, leading to increased memory usage for c2c DFT backtransform and hc2r FFT/DFT backtransform (3x image size instead of 2x image size). If necessary it would be possible to add a fallback for these cases (i.e. catch bad_alloc for the tmp state) and do them in place in low memory conditions. Padding for the in-place transform could be added to the std::vector either at construction time or otherwise using reserve().
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- Nov 09, 2012
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Valerio Mariani authored
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Valerio Mariani authored
The feasibility check flag in the profile was ignored until now
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- Nov 02, 2012
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Marco Biasini authored
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Gabriel Studer authored
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Marco Biasini authored
the builder class is meant to simplify creating mock entities for testing.
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Marco Biasini authored
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Marco Biasini authored
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- Nov 01, 2012
- Oct 31, 2012
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Marco Biasini authored
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- Oct 26, 2012
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Gabriel Studer authored
to be modified, since old blast versions (e.g. 2.2.16) find 27 hits in the created testdatabase and new blastversions (e.g. 2.2.27+) find 28 hits. The only check now is, wether the created database works/something can be found in it.
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Gabriel Studer authored
environment. The problem is, that wu-blast gets called when calling blastp.
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- Oct 25, 2012
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Bienchen authored
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Bienchen authored
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Bienchen authored
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Bienchen authored
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Gabriel Studer authored
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Gabriel Studer authored
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Gabriel Studer authored
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Gabriel Studer authored
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Gabriel Studer authored
as the old ones. It is now possible to create new blastdatabases and the property seqid has been added to the aligned patches.
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- Oct 17, 2012
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Valerio Mariani authored
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- Oct 15, 2012
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Bienchen authored
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- Oct 14, 2012
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Andreas Schenk authored
The gnu c++ size() implementation for stl containers has O(n) complexity while empty() has O(1) complexity
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- Oct 13, 2012
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Marco Biasini authored
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Marco Biasini authored
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Marco Biasini authored
The PDB does not allow atom coordinates maller than -999.999 or bigger than 9999.999. Make sure, our PDB writer honors that restriction.
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- Oct 12, 2012
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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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Marco Biasini authored
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Gabriel Studer authored
caused a white background instead of the colormap background in the extended area
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- Oct 11, 2012
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Andreas Schenk authored
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