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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) 1008 (12 years ago) by hstehr: refactoring: adapting test packages to match new package structure 1029 (12 years ago) by jmduarteg: Fixed hard-coded resources paths broken since major restructuring of project. 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. 1246 (11 years ago) by jmduarteg: Some minor improvements: now populating ids of ChainInterfaces, now interface area is half to match pisa's. Fixed bug in getAllInterfaces tester, wasn't comparing properly in small values.
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