source: trunk/GSASIIphsGUI.py

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Diff Rev Age Author Log Message
(edit) @3245   4 years vondreele fix problem with incommensurate magnetic structures from CIFhklReader …
(edit) @3244   4 years vondreele deal with incomplete residues in residue rigid body assign - they are …
(edit) @3243   4 years vondreele G2ctrlGUI: comment about PyGridTableBase? - python 3? move VALIDPROTEIN …
(edit) @3241   4 years vondreele Add Nobs to print from Hessian LS fix bug in setting global TLS …
(edit) @3239   4 years vondreele implement use of 2-site disordered amino acid residues in proteins: …
(edit) @3234   4 years vondreele new G2spc.SSChoice routine finds all allowed super space group symbols …
(edit) @3231   4 years vondreele fix bug in IndexPeaks? display fix import pypowder issue in G2math fix …
(edit) @3222   4 years vondreele fix missing SGGray in incommensurate structures
(edit) @3221   4 years vondreele fix import of magnetic structures from .EXP files complete list of pre …
(edit) @3220   4 years vondreele minor fixes to commensurate magnetic cif import & display
(edit) @3219   4 years vondreele fix import mag commensurate structures - all drawn correctly now …
(edit) @3215   4 years vondreele mag incommensurate stuff
(edit) @3212   4 years vondreele fix problem of missing rd.MPhase in phase imports work on display of …
(edit) @3211   4 years vondreele fix integer divide in wave display some fixes to mcif import
(edit) @3210   4 years vondreele some fixes for magnetic incommensurate cifs - dealing with 2 different …
(edit) @3208   4 years vondreele fix transformation bug abc -> abc* needed transform of matrix - …
(edit) @3197   4 years vondreele Rearrange SingleStringDialog? window - put '?' at end of text box …
(edit) @3194   4 years vondreele fix to CifFile? fixes to cbf & tif importers for new Pilatus 2M …
(edit) @3171   4 years vondreele fix missing window size parameter changes to super symmetry selection stuff
(edit) @3168   4 years vondreele fix phase data copy operations - needed copy.deepcopy in 2 places …
(edit) @3148   5 years vondreele fix problem with atom refine & I/A selection; 2.7 &7 3.6 compliant
(edit) @3136   5 years vondreele make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
(edit) @3103   5 years vondreele show seq. result in structure drawing - steps thru histograms changing …
(edit) @3101   5 years vondreele change SetScrollRate?(1,1) to SetScrollRate?(10,10) - improves scrolling …
(edit) @3100   5 years vondreele implement fix FXU for sequential refinements
(edit) @3099   5 years vondreele fixes to protein validation code
(edit) @3097   5 years vondreele fix origin shift transformation & vec,matrix, vec transformations; now …
(edit) @3095   5 years vondreele add new confit parm: Show_timing enable editing of the Use column in …
(edit) @3092   5 years vondreele change # decimal places on pseudovariables from 3 to 5 fix bug on …
(edit) @3079   5 years vondreele implement rigid body reference vectors
(edit) @3058   5 years vondreele fix name problem in G2dataGUI; replace GetItemPyData? with GetItemText?
(edit) @3054   5 years vondreele fixes to MCSA gui routines; trap <3 atom RBs fix missing AtLookup?
(edit) @3048   5 years vondreele remove item from config_example.py fix bug in FindAtomsDraw? implement …
(edit) @3045   5 years vondreele plot both protein vlidators (#2 still in erroe) remove config value …
(edit) @3033   5 years vondreele fixes to protein validate, "old" works; not "old" close but not perfect
(edit) @3030   5 years vondreele make protein validation work with old (works) and new (doesn't work) …
(edit) @3029   5 years vondreele implement correctly errat for protein validation; erratv2 not right
(edit) @3000   5 years toby make the two frame version the trunk as we hit version 3000
(edit) @2880   5 years toby Fix copy flags for non-isotropic size/strain models
(edit) @2875   5 years toby Allow space group entry by number; move SGMessageBox to GSASIIctrls
(edit) @2873   5 years toby more fixes & cleanup for phase/data window
(edit) @2872   5 years toby include only added histograms in Phase/Data? operations
(edit) @2864   5 years vondreele new delete hist
(edit) @2863   5 years vondreele extend contour color selection to include reversed ones (doubles the …
(edit) @2853   5 years vondreele remove a 'exposed' test print statement add a print of SVD zeros …
(edit) @2843   5 years vondreele fix focus issues from lists of histograms in tree
(edit) @2842   5 years toby cleanups: crash in show LS params; show constraint vars; set filters …
(edit) @2841   5 years vondreele fix DData & RBmodel selection tables to allow use of up/down arrows - …
(edit) @2840   5 years vondreele fix PDB importer & reimport atoms rework RB GUI - now shows just one …
(edit) @2834   5 years vondreele fix bug on display of Texture fit error
(edit) @2809   5 years vondreele add new transform option for moving atoms from setting #1 --> #2
(edit) @2807   5 years vondreele fix offset problem in Bruker RAW powder importer Some wordsmithing of …
(edit) @2806   5 years toby Revise space group entry
(edit) @2800   5 years vondreele fix a simulation output format use a couple of wx.CallAfter? to fix …
(edit) @2770   5 years vondreele fix import new phase behavior - wasn't finishing properly fix HKL …
(edit) @2750   5 years vondreele fix issues with adding new phase, forgetting to add atoms to it, and …
(edit) @2745   5 years vondreele fixes to SetPhaseWindow? so scroll is over entire range of grids & …
(edit) @2737   5 years vondreele RB fix
(edit) @2735   5 years vondreele set default flight path = 20. in case FPATH0 missing from TOF Iparm …
(edit) @2726   5 years vondreele fix data window resizing problem after DoRefine? trap Pawley issues …
(edit) @2718   5 years vondreele implement LaBail? - not finished.
(edit) @2693   5 years vondreele fix problem in Fourier reflection selection where if no selection made …
(edit) @2691   5 years vondreele fix Transform - cell constraints were wrong needed to clear …
(edit) @2665   5 years vondreele fix problem changing atom type for selected atoms - Type was made …
(edit) @2662   5 years vondreele change use of type to Type for a variable in FindPlotTab? fix duplicate …
(edit) @2656   5 years toby Way cleaner approach to grid pointer; handles multiple grids in a …
(edit) @2655   5 years toby Close out grids before deleting in G2gr.SelectDataTreeItem?; save …
(edit) @2646   5 years vondreele added waterfall colors to single & multiple I(Q)..G(r) plots a start …
(edit) @2642   5 years vondreele move SetSize? kluge to setSizePosLeft - fixed all the scroll window …
(edit) @2640   5 years vondreele change Width to Size in setSizePosLeft kluge to get correct scrolling …
(edit) @2638   5 years vondreele fix atom type change problem - made ReadOnly?; DClick now cleanly gets …
(edit) @2624   5 years vondreele fix a lastSize issue & initial Data window position problem
(edit) @2623   5 years vondreele Allow multisplit Phase frames in debug mode only
(edit) @2622   5 years vondreele avoid undefined G2frame.dataFrame bug comment out two save size prints …
(edit) @2619   5 years toby note when Phase window is resized and use that size
(edit) @2607   5 years toby redo help to use DataFrame? helpKey; define .dataFrame.helpKey; rename …
(edit) @2601   5 years vondreele Add editing of atom bond radii for drawings; modify DisAglDialog? to …
(edit) @2600   5 years vondreele remove comment about mag structures under construction set powder peak …
(edit) @2594   5 years toby Center Pawley input window
(edit) @2593   5 years toby Add Pawley settings menu item; open Phases and selected data tree item …
(edit) @2588   5 years vondreele TextCtrl? --> ValidatedTxtCtrl? for Pawley dmin & wt
(edit) @2572   5 years vondreele TextCtrl? -- ValidatedTextCtrl?
(edit) @2551   5 years vondreele clean up G2imageGUI Add start on autoSpot mask - not complete some …
(edit) @2550   5 years vondreele fix binary import for Bruker raw files fix issues for new atoms in mag …
(edit) @2546   6 years vondreele cleanup of all GSASII main routines - remove unused variables, dead …
(edit) @2544   6 years vondreele major cleanup of unused variables, etc.
(edit) @2530   6 years vondreele finish window placement rules - data display window upper right is …
(edit) @2522   6 years vondreele Do Ivo's changes & some more work on mag derivatives.
(edit) @2521   6 years toby extensions to Peak List: vary via menu items; animate line dragging; …
(edit) @2517   6 years vondreele Fix problem with hand entering atom Type - will now bring up periodic …
(edit) @2516   6 years toby revise import to not assume Bank 1 with multibank instparm files; deal …
(edit) @2512   6 years vondreele remove 'constraint' and 'restraint' from Consraints & Restraints tabs …
(edit) @2504   6 years vondreele fix typo in G2VarObj repr 'str' not 'self' set correct Scale for …
(edit) @2501   6 years vondreele fix (again!) mag moment drawings clean up testDeriv
(edit) @2497   6 years vondreele further work on mag derivatives all seem ok except Mx, My, & Mz
(edit) @2492   6 years vondreele fix handling of Lande g factor fix Mag structure factor calcs - now OK …
(edit) @2491   6 years vondreele fix bug for call to GetPhaseData? in export phase put in stub for …
(edit) @2486   6 years vondreele fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4) …
(edit) @2485   6 years toby add Compute density to Phase/atoms
(edit) @2483   6 years vondreele fix site symmetry issues for magnetic moments on special positions
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