source: trunk/GSASIIconstrGUI.py

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Diff Rev Age Author Log Message
(edit) @5673   20 months toby cosmetic constraint fixes. Show converted sym equivs, missed init, …
(edit) @5663   20 months vondreele Implement 1st draft of atom deformation refinement - functions from …
(edit) @5586   2 years vondreele changes to allow generalized atomic form factors (beginning) Some …
(edit) @5574   2 years toby more changes for nice outline in ReadTheDocs? Sphinx docs
(edit) @5573   2 years toby remove GSASIIpy3 module needed to segregate future_ back in Py2.7 days
(edit) @5526   2 years vondreele more fixes to spin RBs, derivatives, colors, etc.
(edit) @5520   2 years vondreele New version of spinning RBs - radius is now a parameter of each shell. …
(edit) @5502   2 years vondreele bug fix for progress bar & sequential peak fitting. bug fixes for spin …
(edit) @5494   2 years vondreele fixes to spin RB stuff - now will refine (no derivatives yet)
(edit) @5475   2 years vondreele spin rb changes - now define polar axis direction
(edit) @5464   2 years vondreele remove Qa, Qb,... from atom lists. Variety not needed; all spin RB are …
(edit) @5453   2 years vondreele Add SetMax? & SetMin? to G2Slider; Change size=None to size=(50,20) in …
(edit) @5446   2 years toby Slider & Dark Mode fixes; remove position from graph toolbar; remove …
(edit) @5443   2 years vondreele fix to the Paired problem in colors - new GSPaired & GSPaired_r …
(edit) @5433   2 years vondreele atmdata - add required QA-QD info ElementTable? - add QA-QD info …
(edit) @5309   3 years vondreele Add EFtable to list of returned items from G2strIO.GetPhaseData? every …
(edit) @5305   3 years toby constraints fix
(edit) @5250   3 years toby fixes for wx4.1; cleanup for Rigid Body GUI
(edit) @5239   3 years toby add warning when phase fraction constraint is added as per Bob
(edit) @5216   3 years toby improve display of processed constraints
(edit) @5182   3 years vondreele some cosmetic code fixes here & there implement/fix LeBail? refinments …
(edit) @5168   3 years toby fixes to warn rather than fail with Python 3.10
(edit) @5161   3 years vondreele cleanup constraint display - remove excessive wx.RIGHT,wx.LEFT, etc. - …
(edit) @5153   3 years toby revamp of constraints New Var does not use dependent param vary flags; …
(edit) @5137   3 years vondreele fix to constraint delete function - order of delete list must be …
(edit) @5118   3 years toby revisions for constraint processing & display
(edit) @5082   4 years toby fix scaling of ISODISTORT displacement modes so esds are correct; …
(edit) @5072   4 years toby cleanup indexing of phases/hists
(edit) @5070   4 years toby ISO: add show mode defs; create CIF for ISO calc; remove ISO calc from …
(edit) @5067   4 years toby ISODISTORT mode/displacement fixes; allow indexing of all Phases where …
(edit) @5065   4 years vondreele remove check on Histograms & Phases in beginning of UpdateConstraints? …
(edit) @5058   4 years vondreele provide sliders for mode displacements - not connected yet
(edit) @5057   4 years vondreele cleanup ISODISTORT references in constraints & its phase tab …
(edit) @5043   4 years vondreele Add ISODISTORT menu option to RMC menu; active only for PDFfit (under …
(edit) @5040   4 years toby fix sym-gen constraint display
(edit) @5038   4 years toby Major revision to constraints including an update to the Sequential …
(edit) @5002   4 years vondreele allow constraints between like Debye & Bragg peak parameters.
(edit) @4998   4 years toby partial fix of magnetic constraints (still need to deal w/unvaried …
(edit) @4983   4 years toby fix initialization problem when EQUIV are changed to constraints; …
(edit) @4982   4 years toby fix check on non-zero multipliers
(edit) @4980   4 years toby Fix coeff. display for EQUIV
(edit) @4907   4 years vondreele use eigenvalue/vector math to find molecule orientation in onSetPlane
(edit) @4906   4 years vondreele
(edit) @4905   4 years toby fix delete for general; flag constraints where vars are removed
(edit) @4851   4 years toby reformat equivalence pairs as Bob prefers
(edit) @4849   4 years toby apply symmetry constraints on rigid body origin; show position vars …
(edit) @4838   4 years vondreele comment out MakeDrawAtom? in G2constrGUI & make the call to …
(edit) @4823   4 years toby fix naming of new variable constraints; label them & improve …
(edit) @4822   4 years toby Warn if param limits on constrained vars
(edit) @4812   4 years vondreele Add Cycle XYZ button on residue RB GUI & add description to help text …
(edit) @4809   4 years toby display more Residue rigid body info; better docs
(edit) @4805   4 years toby start replacing dataWindow.GetSizer? with .SetSizer? since Sizer could …
(edit) @4782   4 years toby scripting fix; wx4.1 RB fixes
(edit) @4672   4 years vondreele remove all wx.ALIGN from wx Add with wx.EXPAND - invalid combination …
(edit) @4635   5 years vondreele change all 'Ur' to 'r' in open commands double all '\' in G2scriptable …
(edit) @4624   5 years toby improve rigid body stuff; finish tutorial
(edit) @4615   5 years toby Add DrawAtoms_default config option to set default drawing type; add …
(edit) @4609   5 years vondreele name the Vector RB atoms. Don't appear in RB table but do show when …
(edit) @4608   5 years vondreele split VectorRB listings up into separate views for each RB in both …
(edit) @4606   5 years vondreele revise Orientation reference help text for Vector & Residue RBs
(edit) @4605   5 years toby fix AddRB with no matchTable
(edit) @4604   5 years toby add help to Orientation reference controls; improve helpbutton formatting
(edit) @4603   5 years vondreele change CheckBox? to Button for use RB center
(edit) @4602   5 years vondreele add molecular (RB) center option
(edit) @4594   5 years vondreele remove WACV,wx.ALIGN_CENTER_VERTICAL from all Add for wx.VERTICAL …
(edit) @4584   5 years toby prevent duplicate names for rigid bodies; make sure vector RB has 3+ …
(edit) @4577   5 years vondreele A much better fix to the C++ bug. Happens in Windows when gpx file …
(edit) @4576   5 years vondreele fix C++ crash in GSASIIconstrGUI.py - 2 OnPageChanged? routines cor …
(edit) @4573   5 years toby RB extensions and minor bug fixes
(edit) @4505   5 years toby more fixes to Res RB edit; tweak RB atom assignment displays
(edit) @4503   5 years toby fix problems wit multiple instances of a single RB and with adding …
(edit) @4492   5 years vondreele cleanup here & there
(edit) @4455   5 years toby fix and speed up the "Complete Molecule" command; w/o for mult calc bug
(edit) @4431   5 years toby new code for locating RBs; redo GUI for RB extractor
(edit) @4421   5 years toby add R.B. extractor; misc doc updates; plt bug after strip Hs; grid …
(edit) @4400   5 years vondreele add rigid body save to make new pdb file with properly named atoms - …
(edit) @4399   5 years toby major refactoring & corrections to ISODISTORT mode import and computations
(edit) @4379   5 years toby fix isodistort constraint processing
(edit) @4270   5 years vondreele set default directories to G2frame.LastGPXdir or result from …
(edit) @4041   6 years vondreele fix issues with rigid body GUI controls - mostly proper assignment of rbId
(edit) @4020   6 years vondreele comment out sell constraint build for transform & mag structures - …
(edit) @3948   6 years vondreele a better way to fix scroll bar issue in Residue RB display
(edit) @3947   6 years vondreele fix to Residue RB scroll issue with residue selection; had to resize …
(edit) @3944   6 years toby fix for vector rigid body display
(edit) @3943   6 years vondreele fix scroll bars in Residue rigid body display
(edit) @3905   6 years vondreele fix to atom constraints from structure transform
(edit) @3904   6 years vondreele fix lattice parm constraint bug
(edit) @3835   6 years vondreele Allow constraints on modulation vector changes to incommensurate mag. …
(edit) @3829   6 years vondreele fix problem with selecting torsions in residue rigid bodies
(edit) @3791   6 years toby cleanup constraint display more
(edit) @3790   6 years toby make sure off-diagonal terms that must compute as 0 are fixed
(edit) @3789   6 years toby fix transpose error for lattice constraints
(edit) @3788   6 years toby generate cell parm constraints for magnetic cells; fix errors in …
(edit) @3785   6 years toby generate lattice constraints for mag. xform
(edit) @3784   6 years toby generate lattice constraints for mag. xform
(edit) @3760   6 years vondreele remove AwaveType?,PwaveType?,FwaveType? & MwaveType? from constraints …
(edit) @3735   7 years vondreele oops got monoclinic A3 & A5 switched!
(edit) @3734   7 years vondreele fix to SetUniqAj? - inside TransConstraints?
(edit) @3721   7 years vondreele put in (now commented out) new code for making lattice constraints for …
(edit) @3717   7 years vondreele comment all lines for making lattice constraint
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