source: trunk/GSASIIphsGUI.py

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Diff Rev Age Author Log Message
(edit) @1699   10 years vondreele rework the DData window - now shows only one histogram at a time. …
(edit) @1694   10 years vondreele some missing stuff in PWDR[0] dictionary add new fxn to G2img - …
(edit) @1691   10 years toby Change CallAfter? to CallLater? to avoid crashes on Mac
(edit) @1674   10 years vondreele bad response for extended structures & assemble molecule - now fixed
(edit) @1669   10 years vondreele trap IndexErrors? in GetTypeName? & sortArray add FindMolecule? to G2math …
(edit) @1668   10 years vondreele Attempt at a molecule builder in Atoms - seems to work in some cases
(edit) @1663   10 years vondreele change default single crystal extinction coeff to 1e-7 from 1e-10 fix …
(edit) @1658   10 years vondreele correct bugs in single crystal cif output - now good for TOF data …
(edit) @1657   10 years toby migrate help from G2grid; set instparms in Powder imports; seach for …
(edit) @1655   10 years vondreele add a Show/Hide? command in the phase/data menu add importer for ISIS …
(edit) @1646   10 years vondreele allow search for negative density peaks in charge flip and Fourier …
(edit) @1639   10 years vondreele remove a couple of error messages from G2math. implement use of …
(edit) @1635   10 years vondreele modulation functions & constraints
(edit) @1633   10 years vondreele fix wx 3.0.x problem with Size on Progress bars in G2phsGUI & G2pwdGUI …
(edit) @1629   10 years vondreele fix 1st time atom draw problems
(edit) @1625   10 years vondreele add a parameter to result from G2stIO.GetPhaseData? add modulation …
(edit) @1623   10 years vondreele remove stray prints double up modulation plot set roll of 4D map to …
(edit) @1622   10 years vondreele add 4D charge flipping - works to give 3D structure; only enabled for …
(edit) @1615   10 years vondreele more work on incommensurate wave input to LS fix FillAtomLookup? …
(edit) @1614   10 years vondreele Fix PDF plots & PDF Controls window issue SS names now fixed LS input …
(edit) @1612   10 years vondreele Set up SS atom defaults fix "config" error
(edit) @1611   10 years vondreele revision to GSASII.BAT - new citation for small angle allow super …
(edit) @1610   10 years toby fix atom pointer reference
(edit) @1609   10 years toby more work on phase rename: reflection lists
(edit) @1606   10 years vondreele more FillAtomLookUp? errors a few more orthorhombic SS symbols some …
(edit) @1605   10 years toby add code to prevent blank phase names
(edit) @1604   10 years vondreele make modulation wave maps fix atom index bugs begin modulated …
(edit) @1601   10 years vondreele remove some more (3+2) & (3+3) supersymmetry stuff begin …
(edit) @1599   10 years vondreele rationalize SS, RB & normal atom data; atId is after U23 followed by …
(edit) @1598   10 years vondreele insure super lattice reflection set is unique reflections only fix …
(edit) @1596   11 years vondreele some bug fixes
(edit) @1595   11 years vondreele change ValEsd? to round at 3.16228 =sqrt(10); same as old GSAS add mod. …
(edit) @1594   11 years vondreele begin Pawley refinement stuff for incommensurate structures Pawley SS …
(edit) @1590   11 years toby update grid cell editor for wx2.9+ change (see …
(edit) @1589   11 years toby 2 bugs: import phase w/invalid element; prevent 3 overlapped buttons …
(edit) @1581   11 years vondreele fix problem editing R3cR lattice parameters - incorrect angle index …
(edit) @1578   11 years vondreele add wx.Yield in RefineBox? refactor indexing for normal & superlattice …
(edit) @1548   11 years vondreele more super structure stuff - now some in unit cell indexing now using …
(edit) @1547   11 years vondreele change "Crystal size" to "Domain size" use lookups for allowed super …
(edit) @1545   11 years toby fix tab selection (again); clean up some menus
(edit) @1540   11 years toby fix select tab for older wx
(edit) @1538   11 years toby simplify Select tab for phases to look up text from menu item; old …
(edit) @1530   11 years vondreele supersymmetry modifications & revise space group display/print to give …
(edit) @1529   11 years vondreele revise display of space group info so that operators are in lined up …
(edit) @1523   11 years toby change isinstance in patch code
(edit) @1515   11 years vondreele allow '#' comments in GSAS iparm files. add class G2ColumnIDDialog for …
(edit) @1506   11 years vondreele break ReadPowderInstprm? into two pieces; OpenPowderInstprm? is new. …
(edit) @1503   11 years vondreele begin incommensurate structure stuff -new importers for SHELX HKLF5 …
(edit) @1493   11 years vondreele set move=True for GenAtom? call for FillUnitCell? show bin width in …
(edit) @1489   11 years vondreele correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
(edit) @1486   11 years toby minor bugs
(edit) @1474   11 years vondreele 1st MC/SA tutorial various MC/SA fixes fix to background peak fitting …
(edit) @1470   11 years vondreele fix missing 'outChannels' from imtrl files fix bug re missing …
(edit) @1453   11 years vondreele get HKLF data type into RefDict? create a SetDefaultDData routine in …
(edit) @1450   11 years toby minor cleanups of Phase GUI
(edit) @1438   11 years vondreele missed the code for the Alt key fix
(edit) @1381   11 years toby fix blank initial GL window for structure
(edit) @1378   11 years toby wxPython 2.9 fixes: FlexGridSizer?, wx.Colour, MacOpenFile?; move bind …
(edit) @1360   11 years vondreele add SRM660b to ImageCalibrants?.py revamp element stuff to use …
(edit) @1359   11 years vondreele start allowing reading of multiple HKLF files. put an IndexAllIds? into …
(edit) @1283   11 years vondreele open a SASD gpx file now starts at SASD file & plot fix 2/a & 2/c …
(edit) @1239   11 years vondreele wx.ALIGN_CENTER_VERTICAL to WACV in G2ddataGUI fix data frame size for …
(edit) @1233   11 years vondreele replace wx.Align_CENTER_VERTICAL with WACV in G2pwdGUI & G2phsGUI …
(edit) @1229   11 years vondreele more fine tuning of image recalibrate James Hester's fix to Pawley …
(edit) @1228   11 years vondreele remove diagnostic prints in image calibration stuff some fine tuning …
(edit) @1207   11 years vondreele add contrast calculator GUI (does nothing yet) to SASD fix notebook …
(edit) @1206   11 years vondreele fix to notebook add run no. to MC/SA progress bar
(edit) @1203   11 years vondreele show q in powder/sasd plots work on absorption corr. for sasd data
(edit) @1183   11 years toby fixup number formatting; update produced doc files
(edit) @1172   11 years toby ask to link phases to histograms after an import of either; rethink …
(edit) @1161   12 years toby finish ISODISTORT occupancy modes
(edit) @1160   12 years toby finish ISODISPLACE fixes; improve show var window; improve help …
(edit) @1150   12 years toby Catch phase w/o histogram error
(edit) @1147   12 years toby Complete initial ISODISPLACE implementation; mod. phase …
(edit) @1142   12 years vondreele add 2*Fo-Fc omit to Fourier map collection
(edit) @1116   12 years vondreele put in progress bar for omit map calculation
(edit) @1110   12 years vondreele removed Uniq % Phi from reflection data structure - make locally …
(edit) @1107   12 years vondreele make reflist np.array fix bug - hfx+'Type' needs to be in parmDict
(edit) @1106   12 years vondreele modify reflection array to be a dictionary with 4 items: RefList?, …
(edit) @1100   12 years vondreele finish 1st version (workable) of a PDB exporter for macromolecular …
(edit) @1097   12 years vondreele mods to restraint GUI & LS output for restraints correct torsion & …
(edit) @1076   12 years vondreele again fix MC/SA window scroll behavior & small start on dummy histograms
(edit) @1075   12 years vondreele implement new March-Dollase term in MC/SA
(edit) @1071   12 years vondreele change tolerance on RB atom matching; wasn't big enough
(edit) @1070   12 years vondreele fix MC/SA solution grid behavior
(edit) @1066   12 years vondreele more MC/SA fixes
(edit) @1065   12 years vondreele add MC refinement to MC/SA - works
(edit) @1060   12 years vondreele mods to MC/SA stuff - some speedup done
(edit) @1056   12 years vondreele restore multiprocessing MCSA
(edit) @1055   12 years vondreele working MC/SA
(edit) @1052   12 years vondreele fix to 64bit version - needed a SetFocus?() after MC/SA run in case …
(edit) @1051   12 years vondreele remove all mcsa fortran code - not needed replace 32-bit Windows …
(edit) @1045   12 years vondreele fix Fourier map problems - didn't like Fo<0. use ErrorDialog? for some …
(edit) @1042   12 years vondreele fixed HKLF data bug
(edit) @1033   12 years toby Fix Select tab menu buttons by getting unused Id values
(edit) @1028   12 years toby print/export distances & angles
(edit) @1022   12 years toby fix error on adding an atom to a new phase before Draw Options are …
(edit) @1020   12 years toby fix Matt's path bug; minor disagl cleanup
(edit) @1016   12 years vondreele remove PawleyDelete? - not used fix floating point error in vcov matrix …
(edit) @1015   12 years vondreele allow delete of individual Pawley reflections
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