ViewVC Help
View Directory | Revision Log | Download Tarball | View Changeset | Root Listing
File Last Change
features/ 1049 (9 years ago) by hstehr: removing @Override annotations which were causing compilation errors for me
sequence/ 1172 (9 years ago) by jmduarteg: Now using apache commons logging
util/ 1208 (9 years ago) by cvehlow: Scoring:KendallsTau-method added to Statistics
runners/ 1211 (9 years ago) by jmduarteg: First implementation of enumeration of interfaces (based on crystal transformations), equivalent to PISA's. This is still a very rough implementation (far too slow) and not totally correct: some of the interfaces are duplicated. Needs more work but still good as a starting point.
connections/ 1215 (9 years ago) by jmduarteg: Fixed bug: using the negative side of the 26 translations was causing an incorrect number of interfaces reported for 1pmm and 1pmo. Not sure why but for the moment reverting to doing the positive side. Changed cutoff to 5.9, then both 1pmm and 1pmo match pisa. Better reporting of symops (now based on matrices converted to algebraic notation), before was not totally correct. Still problems with the code as it does not match pisa for some examples (probably many), e.g. for 7odc reports 4 instead of 6 interfaces.
structure/ 1216 (9 years ago) by jmduarteg: Committing a version that 1st) properly places the symoped generated units of the first unit cell in the first unit cell (and not elsewhere like before) 2nd) does not miss any interfaces because of just doing half of the neighbours (e.g. in 7odc it wouldn't work). Now no interfaces are missing but lots of duplicates are found. So not a fully working version yet.
         0 files shown