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data/ 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) 1277 (10 years ago) by jmduarteg: Forgot to fix 2 problems in last commit. 1269 (10 years ago) by jmduarteg: Fixed bug in SpaceGroupTest. Now it works and test passes. Introduced checking for clashes in interfaces. Added it to the PdbAsymUnitTest 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! 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. 1008 (11 years ago) by hstehr: refactoring: adapting test packages to match new package structure
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