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2012-10-19Update a commentThomas White
2012-10-19Convert SymOpList to use IntegerMatrixThomas White
This simplifies things a lot
2012-10-19Add useful commentsThomas White
2012-10-19Switch off INVERTX for MOSFLMThomas White
2012-10-19FormattingThomas White
2012-10-17describe_symmetry(): Don't attempt to display "i"Thomas White
It makes an invalid assumption about the setting
2012-10-17describe_symmetry(): More faffThomas White
2012-10-17describe_symmetry: Improve paddingThomas White
2012-10-17describe_symmetry: Print plus sign only if a minus sign isn'tThomas White
2012-10-17describe_symmetry: Add commas when neededThomas White
2012-10-15Add add_op_intmat()Thomas White
2012-10-15Add intmat_is_identity()Thomas White
2012-10-15Add tfn_from_intmat()Thomas White
2012-10-11Tie off loose endsThomas White
This whole idea is rubbish. There's no way to communicate the setting information via the H-M spacegroup symbol in this way, except in a few circumstances. See ITA (2005) section 4.3. This simplifies matters a lot. There's no need for any extra parsing, because the "_uaX" system is sufficient, and is the best that can be done without inventing a whole new system for point group symbols.
2012-10-11Fix MOSFLM space groups (really the last time)Thomas White
This whole idea is rubbish. There's no way to communicate the setting information via the H-M spacegroup symbol in this way, except in a few circumstances. See ITA (2005) section 4.3.
2012-10-10const-ify the integer matrix libraryThomas White
2012-10-10Split cofactor calculationThomas White
2012-10-10WhitespaceThomas White
2012-10-10Handle weird unique axis variants of all point groupsThomas White
2012-10-04Fix a FIXMEThomas White
2012-10-03Fix MOSFLM space groups a (hopefully) final timeThomas White
More woes resulting from "H centering"...
2012-10-03Fix MOSFLM space groups (again)Thomas White
2012-10-02Fix commentsThomas White
2012-10-02Merge branch 'master' of ssh://git.bitwiz.org.uk/crystfelThomas White
2012-10-02Fix MOSFLM space groupsThomas White
2012-10-02Fix obvious bugThomas White
2012-10-02Use the correct panel numberThomas White
2012-10-02Fix segfault on failed indexingThomas White
2012-10-02Remove debugging messageThomas White
2012-10-02Finishing tweaks for uncentering stuffThomas White
Today, I have mostly been having my life made difficult by the PDB's invention of "H centering".
2012-10-02FormattingThomas White
2012-10-02More work on transformationsThomas White
2012-10-02Remove unnecessary includesThomas White
2012-10-02Implementation of UnitCellTransformationThomas White
2012-10-02WIPThomas White
2012-10-02WIPThomas White
2012-10-02WIPThomas White
2012-10-02WIP on cell transformationsThomas White
2012-10-02Uncenter the cell before using it for indexing stuffThomas White
2012-10-02Don't send cell parameters to MOSFLMThomas White
2012-10-02Send setting information to MOSFLMThomas White
2012-10-02WIPThomas White
2012-10-02Remove space group from unit cellThomas White
2012-10-02Move unit cell utility stuff to separate moduleThomas White
2012-10-02"divisors" not needed any moreThomas White
Was it ever needed?
2012-10-02WIPThomas White
2012-10-02Handle lattice type, centering and unique axis informationThomas White
2012-10-02Factorise background maskThomas White
This fixes a speed regression introduced by dca1938a.
2012-10-02Fix the other exit condition from integrate_peak()Thomas White
This REALLY fixes a significant data quality regression introduced by f668e3b3 (21st June 2012)
2012-10-01Fix exit condition from integrate_peak()Thomas White
This fixes a significant data quality regression introduced by f668e3b3 (21st June 2012)
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