 ../
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data/
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1244
(11 years ago)
by jmduarteg:
Finally ASA/BSA comparison to PISA test passes. Have to exclude one case where slight difference interface area values led to different sorting and so comparsion doesn't work. This will still be a problem whenever that happens (whenever different sorting of PISA vs ours)
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AminoAcidTest.java
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1008
(12 years ago)
by hstehr:
refactoring: adapting test packages to match new package structure
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PdbParsersTest.java
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1218
(11 years ago)
by jmduarteg:
Fixed bug: was null pointing in parsing NMR cif files because they don't have crystal parameter fields. Now skipping that properly. Added NMR test entry to test cases.
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PdbTest.java
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1252
(11 years ago)
by jmduarteg:
Implemented some parallelisation in ASA calculation. It doesn't scale very well (could measure x2 speed-up with 4 CPUs in a Core2 Quad) but at least we have it, now this is starting to be better than NACCESS!
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PdbAsymUnitTest.java
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1252
(11 years ago)
by jmduarteg:
Implemented some parallelisation in ASA calculation. It doesn't scale very well (could measure x2 speed-up with 4 CPUs in a Core2 Quad) but at least we have it, now this is starting to be better than NACCESS!
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SpaceGroupTest.java
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1268
(11 years ago)
by jmduarteg:
Fixed some bugs with parsing symop.lib and conversion of transformations. Properly testing SpaceGroups and parsing now. Still one test (transpose equal inverse) does not work for trigonal and hexagonal groups.
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