- Jul 05, 2010
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marco authored
GetGeometricStart()/GetGeometricEnd() has been deprecated and will be removed sooner or later. git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2501 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
These two algorithms are not tested enough to leave them in. I will readd them once I find the time to properly test them. git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2500 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
DF3 is a very simple format used by PovRay to represent density data. git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2499 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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juergen authored
removing examples dir, has been replaced with "demos/" for most attractive demos and "code_fragments" for small/lowlevel scripts git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2498 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Jul 04, 2010
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juergen authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2497 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Jul 02, 2010
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2496 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2495 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2494 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Jul 01, 2010
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2493 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2492 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2491 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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juergen authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2490 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2489 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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stefan authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2488 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Jun 30, 2010
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2487 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2486 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2485 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2484 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2483 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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juergen authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2482 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2481 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2480 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
Leopard's install_name_tool doesn't allow to manipulate the rpaths of mach-o binaries, that's why we have to fall back to the ugly @executable_path on these systems. This doesn't work properly when using the default Python coming with the system, since the library load commands are defined relative to the executable they were loaded in. If the python the binary and gosty binary are not in the same path, BANG! git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2479 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2478 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2477 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Jun 29, 2010
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andreas authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2476 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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valerio authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2475 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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juergen authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2474 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2473 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2472 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2471 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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stefan authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2470 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Jun 28, 2010
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andreas authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2469 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2468 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
This bug actually lead to the discovery of an interesting phenotype of the "for" statement. If a class has the __getitem__() defined and doesn't have a __iter__(), Python uses __getitem__() to iterate over the items, stopping when a IndexError is thrown. Previously we were throwing a normal RuntimeError which Python didn't recognize as the end of the list. git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2467 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
instead of relying on the properties of the vector iterators, implement our own iterator that gracefully decays to a pointer. This is save, since the C++ standard requires the vector to store its elements in a continuous block of memory. No more stupid Microsoft runtime checks. git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2466 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2465 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Jun 25, 2010
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marco authored
.pyc files are always removed from the bundle, .py files are removed if a .pyo file exists. This reduces the size of the zipped bundle to 40MB (including compounds.chemlib, excluding the examples). git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2464 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2463 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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- Jun 24, 2010
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juergen authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2462 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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