source: trunk/GSASIIphsGUI.py

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Diff Rev Age Author Log Message
(edit) @4811   2 years toby more wx4.1 & help button fixes; fix OnLeave? if called when a window is …
(edit) @4809   2 years toby display more Residue rigid body info; better docs
(edit) @4803   2 years toby don't reuse dataWindow sizer for background or PWDR; plotting: reset f …
(edit) @4801   2 years toby Cleanup deleted hists in Phase/data; improve help button location; …
(edit) @4789   2 years toby switch to new HessianLSQ; Ouch#4 msg in GUI; misc wx4.1 fixes; docs …
(edit) @4783   2 years toby wx4.1 updates; new CIF data item; scripting: peak fit details …
(edit) @4763   2 years vondreele cleanup tif import for PIL use - remove commented lines move …
(edit) @4759   2 years toby wx4.1 & mpl3.3 fixes
(edit) @4719   2 years vondreele add number/cell to site fraction apportion routine
(edit) @4672   2 years vondreele remove all wx.ALIGN from wx Add with wx.EXPAND - invalid combination …
(edit) @4669   2 years vondreele Add '?' help button to upper right for phase tabs General, etc.
(edit) @4663   2 years vondreele remove unused line
(edit) @4660   2 years vondreele Add atom site fraction calculator for 2 atom shared sites
(edit) @4659   2 years toby extensive Origin 1->2 updates; merge SetupGeneral? into a single …
(edit) @4654   2 years toby new video tutorial; misc minor RB GUI fixes for Windows; option to …
(edit) @4647   2 years vondreele fix escape seq in G2ctrlGUI add defaults for map slice color contours; …
(edit) @4641   2 years vondreele add color contouring to map slice display. Will plot lines, colors or …
(edit) @4634   2 years vondreele fix crash on unknown rId in plot inv pole figure change CF map roll …
(edit) @4624   2 years toby improve rigid body stuff; finish tutorial
(edit) @4623   2 years vondreele fix a wx.Dialog call; change "label=" to "title="
(edit) @4618   2 years vondreele Update RB atom site frac when origin of RB is shifted from one …
(edit) @4616   2 years vondreele fix a bunch of escape sequence '\' to ' ' in G2obj Add display of …
(edit) @4615   2 years toby Add DrawAtoms_default config option to set default drawing type; add …
(edit) @4614   2 years vondreele provide protection for acosd in RotateRBXYZ & UpdateRBXYZ Add sitesym …
(edit) @4613   2 years vondreele fix Origin selection wo atom selection bug in OnAssignRB
(edit) @4612   2 years vondreele change 'Process' to 'Update'
(edit) @4610   2 years vondreele change column headiings in OnRBAssign table from 'phase...' to …
(edit) @4608   2 years vondreele split VectorRB listings up into separate views for each RB in both …
(edit) @4605   2 years toby fix AddRB with no matchTable
(edit) @4602   2 years vondreele add molecular (RB) center option
(edit) @4601   2 years toby message to replace add RB table
(edit) @4600   2 years toby remove adding atoms warning; fix body fitting bugs
(edit) @4599   2 years toby remove RB match box when no atoms can be matched
(edit) @4598   2 years vondreele cosmetic changes
(edit) @4597   2 years toby add x+y and x+y+z as RB axes; move widget storage
(edit) @4595   2 years toby add RB sym axis; implement in RB add; minor RB GUI reorg
(edit) @4594   2 years vondreele remove WACV,wx.ALIGN_CENTER_VERTICAL from all Add for wx.VERTICAL …
(edit) @4583   2 years toby revise graphics & input for Insert Rigid Body
(edit) @4573   2 years toby RB extensions and minor bug fixes
(edit) @4570   2 years vondreele Implement arc mask method for determining polarization with scipy …
(edit) @4568   2 years vondreele cleanup of RollMap? command
(edit) @4564   2 years vondreele add Roll Map capability to Map Peaks menu - only for charge flip maps
(edit) @4563   2 years vondreele fix off-by-one error in Map Peaks Invert Map Peaks operation; NB: …
(edit) @4561   2 years vondreele invoke scrooling set for atom editing
(edit) @4559   2 years vondreele fix OnTransform? - the ending block of code needed to be tabbed out one …
(edit) @4558   2 years vondreele include vacancies in atom-atom table of bond limits - needed by RMCProfile
(edit) @4556   2 years vondreele Change color of As from "blue" to "orange". Implement a sampling …
(edit) @4553   2 years vondreele reimplement new PeaksUnique? code & make more general. Now finds unique …
(edit) @4551   2 years toby fix name wipe out bug
(edit) @4550   2 years vondreele use AddToNotebook? for Fourier map creation
(edit) @4547   2 years vondreele AddToNotebook? routine added & implemented for peakfit & charge flipping
(edit) @4532   3 years toby refactor ViewLSparms; more fullrmc work
(edit) @4525   3 years toby add reload to draw atoms
(edit) @4524   3 years toby rigid bodies: error on duplicate name; update draw atoms after adding …
(edit) @4523   3 years toby more fullrmc work, but not done
(edit) @4518   3 years toby start on fullrmc update for 5.0; fix for rigid bodies
(edit) @4513   3 years vondreele fix problem after setting 1-->2 transformation. A block of code …
(edit) @4508   3 years vondreele fix the select tab menu list in phases
(edit) @4507   3 years vondreele alow plotting of non integer HKL planes make planes partially …
(edit) @4505   3 years toby more fixes to Res RB edit; tweak RB atom assignment displays
(edit) @4504   3 years toby restore error for deleting RB atoms
(edit) @4503   3 years toby fix problems wit multiple instances of a single RB and with adding …
(edit) @4502   3 years vondreele Eliminate the Hatom radius & moved Bond search factor to be under Bond …
(edit) @4501   3 years vondreele move void plotting to be before slice plotting so that voids behind …
(edit) @4500   3 years toby Add sphere of atoms arround view point; show distances to peaks and …
(edit) @4499   3 years toby Add sphere of atoms arround view point; show distances to peaks and …
(edit) @4494   3 years vondreele make voids permanent,add show options for map & voids, draw voids as …
(edit) @4493   3 years vondreele strip valences from atoms in RMCProfile & fullrmc - both are blind to …
(edit) @4492   3 years vondreele cleanup here & there
(edit) @4491   3 years toby Add VoidMap?; change min/max in ValidatedTextCtrl? to xmin/xmax; new …
(edit) @4489   3 years vondreele further fixup of incommensurate mag moment drawings. Now correct.
(edit) @4487   3 years toby abort on Complete Molecule optional; bypass decode error
(edit) @4484   3 years vondreele fix setting RB thermal to 'None' replace call to …
(edit) @4479   3 years toby changes to unique map peaks & plotting after selection
(edit) @4476   3 years vondreele make sure if Uij = None that it is zero, type is 'I' and that after a …
(edit) @4473   3 years toby allow adding of rigid body atoms to atoms list
(edit) @4471   3 years vondreele restore FillCoordSphere? from G2 version #4379
(edit) @4470   3 years vondreele Add option to fade by 50% symmetry equivalent atoms, bonds, etc. in …
(edit) @4468   3 years toby add status msg on Shift-Click atom selection; error message with RB …
(edit) @4464   3 years vondreele reinstate the old FindCoordination? as FindCoordination2 - was used in …
(edit) @4462   3 years vondreele fix bug for not installed RMCProfile
(edit) @4461   3 years vondreele fix bugs in MakeRMC6f & MakefullrmcPDB
(edit) @4460   3 years vondreele correct plots for RMCProfile & fullrmc S(Q) & G(R) plots.
(edit) @4455   3 years toby fix and speed up the "Complete Molecule" command; w/o for mult calc bug
(edit) @4454   3 years vondreele allow selection by atom name (same as by type)
(edit) @4453   3 years vondreele cleanup fixes to G2pshGUI
(edit) @4451   3 years vondreele Add Histogram distances & angles to Phase/Atom/Compute? menu fix …
(edit) @4450   3 years vondreele Add Histogram bonds & angles to Atoms/Compute? menu - makes histogram …
(edit) @4448   3 years toby add complete molecule (slow) & fix use of radii
(edit) @4447   3 years vondreele change RMCProfie chi2 to log10 chi2 to match fulrmc chi2 plot fix …
(edit) @4442   3 years toby better atom selection; try to fix packaging bug
(edit) @4434   3 years vondreele Change Force=True for anisotropic atms in call to GenAtom? in …
(edit) @4433   3 years toby fix problem where histogram has reflections, but is not in phase; …
(edit) @4432   3 years vondreele change ifConstraint flag in Transform to False flag missing reflection …
(edit) @4431   3 years toby new code for locating RBs; redo GUI for RB extractor
(edit) @4430   3 years vondreele some cleanup of fullrmc stuff
(edit) @4427   3 years vondreele fullrmc fixes
(edit) @4425   3 years vondreele fix generation of fullrmc pdb file for structures with partial …
(edit) @4424   3 years toby fix RB selection with 1 RB
(edit) @4423   3 years vondreele fix to RMC stuff
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