source: trunk/GSASIIphsGUI.py

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Diff Rev Age Author Log Message
(edit) @2116   6 years vondreele change error message about 'X' space groups! add Transform stub in …
(edit) @2113   6 years vondreele better cleanup when main window is closed add FlagSetDialog? class & …
(edit) @2111   6 years vondreele fix to mod vec edit & search comment out unused StructureFactorDerv?
(edit) @2110   6 years vondreele add menu item for global setting of wave vary parameters - TBD split …
(edit) @2109   6 years toby Andrey's enhancement: keep track of last GPX, import & export …
(edit) @2100   6 years vondreele add CFXraySingleCrystal to list of tutorials fix bug in AtomInsert? - …
(edit) @2097   6 years vondreele name fix in AtomTypeSelect? - remove ( & ) split StructureFactorDeriv?
(edit) @2077   6 years vondreele refactor wave data display to do one atom at a time instead of a long GUI
(edit) @2075   6 years vondreele explicit plot destroy when GSAS2 closes work on scrolling on phase …
(edit) @2070   6 years vondreele remove extraneous argument from G2mth.posFourier work on ZigZag/Block?
(edit) @2064   6 years vondreele more fixed to SS modulation display & Refine listing
(edit) @2063   6 years vondreele typo - bad indent
(edit) @2062   7 years vondreele exclude non variable SS parms from constraint lists define ZigZag? & …
(edit) @2050   7 years vondreele include Bank no in Instrument parameters - no check yet expand range …
(edit) @2040   7 years vondreele make sure XSC is reflection import default Type convert Biso to Uiso …
(edit) @2039   7 years vondreele remove "crenelType" from SS atom data - won't be needed implement …
(edit) @2036   7 years toby roll back 2033
(edit) @2033   7 years toby change a few imports for RTFD
(edit) @2025   7 years vondreele
(edit) @2009   7 years vondreele remove 4Dfourier menu from Wave Data page (best done from General …
(edit) @2005   7 years vondreele add print every 100 refl. in structurefactorderv routines fix atom loc …
(edit) @1993   7 years vondreele numerical derivatives for x modulations - work but slow show density …
(edit) @1988   7 years vondreele fix atom id problem in AddRestraints? refactor Modulation & …
(edit) @1981   7 years vondreele fixes to modulation plots & 3D & 4D Fourier map processing
(edit) @1978   7 years vondreele fix to update reflections in HKLplot remove ZigZag? from incommensurate …
(edit) @1964   7 years vondreele fix bug in atomadd for SS structures make sure ComboBoxes? are READONLY …
(edit) @1963   7 years vondreele fix wx 3.x issue with ComboBox? & nonstandard SSpace group symbols
(edit) @1958   7 years vondreele add r-values by SS index add a fade for frac modulation of atoms in …
(edit) @1957   7 years vondreele work on SS structure factors some refactoring of SS special pos code …
(edit) @1953   7 years vondreele code simplification in FillUnitCell? & MoveToUnitCell? fix error in GenAtom?
(edit) @1951   7 years vondreele implement drawing of incommensurate structures - live variation wrt …
(edit) @1947   7 years vondreele do export of pole figures & inverse pole figures as csv files (can be …
(edit) @1945   7 years vondreele fix another new histo in new phase error some cleanup in texture …
(edit) @1944   7 years vondreele add G2HistDataDialog for editing e.g. orientation angles over all …
(edit) @1940   7 years vondreele use atom types in H-atom add; cleanup HydId? dict when H-atoms deleted
(edit) @1939   7 years vondreele change atom naming conventions - remove '()' and H atoms are numbered …
(edit) @1938   7 years vondreele H atoms now inserted into Atom list after their attchment (C, N or O)
(edit) @1936   7 years vondreele Add a printed "score" for unique peaks determination Add "2-theta" to …
(edit) @1935   7 years vondreele apply Uiso (equiv) for H-atom generation/update revise H-atom addition …
(edit) @1933   7 years vondreele remove old reflection style patches in G2phsGUI & G2plot fix hkl & …
(edit) @1931   7 years vondreele Autoupdate of atom drawing table and drawing after LS refinement and …
(edit) @1930   7 years vondreele allow exclude atoms from H-atom position calcs. hydrogen add …
(edit) @1928   7 years vondreele fix error in Fourier calc. new getRho routine new add OH hydrogens …
(edit) @1927   7 years vondreele more hydrogen add work
(edit) @1926   7 years vondreele Work on add Hydrogens
(edit) @1925   7 years vondreele create AddHatomDialog? & work on OnHydAtomAdd? allow reading of .cor …
(edit) @1924   7 years vondreele work on H-atom riding constraints extend "short" phase names to full …
(edit) @1918   7 years vondreele further mods on twins
(edit) @1917   7 years vondreele better handling of nonmerohedral twins
(edit) @1915   7 years vondreele start on riding constraints - works for atom frac,x,y,z; skipping u's …
(edit) @1908   7 years vondreele Add save of pole figures in popLA format
(edit) @1906   7 years vondreele set lowest map search to 1.0 (from 10.)
(edit) @1897   7 years vondreele fix unused histogram bug in G2strIO, uncomment dFdbab lines (they …
(edit) @1885   7 years vondreele reload atoms now registered in General
(edit) @1884   7 years vondreele remove some unused imports add merohedral/pseudomerohedral Twin Laws …
(edit) @1875   7 years vondreele add Flack parameter to GUI (commented out for now)
(edit) @1852   7 years vondreele addmtexture analysis tutorial to list in G2ctrls remove Clear Texture …
(edit) @1839   7 years vondreele provide graphical display for texture fit, change weighting scheme & …
(edit) @1837   7 years vondreele fix Mass problem on 1st LS if General not visited after atoms added …
(edit) @1835   7 years vondreele fix problem with deleting/inserting data into phases fix plot problem …
(edit) @1831   7 years toby move remaining generic controls to G2ctrls
(edit) @1830   7 years vondreele change ftol on texture refinement - stop on real convergence improve …
(edit) @1828   7 years toby more tweaks on phase data; keeps selected histogram across phase
(edit) @1827   7 years toby fix scrollbar problems in many places; phase data in particular
(edit) @1823   7 years toby revise paint of data tab
(edit) @1809   7 years vondreele fix crash in texture GUI fix shift arrow problem at end of sequence
(edit) @1807   7 years vondreele remove some (now) dead code fix shift-arrow for stepping thru tree …
(edit) @1806   7 years vondreele add 'L' option to plot/not plot lines between points in seqPlots
(edit) @1804   7 years vondreele fix bug on Copy sel sample parms (bad plot) implement 3D pole …
(edit) @1800   7 years vondreele show no. space group extinct reflections in HKLF data - rejected from …
(edit) @1796   7 years vondreele fix to selected copy - bug if nothing selected!
(edit) @1792   7 years vondreele remove Exceptions from seqRefine; now returns & makes Message dialog …
(edit) @1790   7 years vondreele remove unused FORPI from G2strMath New fitTexture routine to use seq …
(edit) @1785   7 years vondreele Add new routine to GSAS.py, StartProject?, called by both OpenFile? & …
(edit) @1780   7 years vondreele force collapse of all children when main tree item is collapsed begin …
(edit) @1778   7 years vondreele allow Refine texture menu item to appear; use DestroyChildren? to clear …
(edit) @1776   7 years vondreele remove Copy, Copy flags buttons from Data display; add them as menu …
(edit) @1773   7 years vondreele provide sig,gam & FWHM in export of PWDR reflection set as csv & txt …
(edit) @1772   7 years vondreele fix a copy flags error in DData add Compute average for columns in Seq …
(edit) @1770   7 years vondreele moved MultipleChoicesDialog? and SingleChoiceDialog? from G2grid to G2ctrls
(edit) @1762   7 years vondreele fix exports of reflection csv & txt files to work for CW & TOF data as …
(edit) @1731   7 years vondreele fixes to DData plotting for mustrain/size
(edit) @1699   7 years vondreele rework the DData window - now shows only one histogram at a time. …
(edit) @1694   7 years vondreele some missing stuff in PWDR[0] dictionary add new fxn to G2img - …
(edit) @1691   7 years toby Change CallAfter? to CallLater? to avoid crashes on Mac
(edit) @1674   7 years vondreele bad response for extended structures & assemble molecule - now fixed
(edit) @1669   7 years vondreele trap IndexErrors? in GetTypeName? & sortArray add FindMolecule? to G2math …
(edit) @1668   7 years vondreele Attempt at a molecule builder in Atoms - seems to work in some cases
(edit) @1663   7 years vondreele change default single crystal extinction coeff to 1e-7 from 1e-10 fix …
(edit) @1658   7 years vondreele correct bugs in single crystal cif output - now good for TOF data …
(edit) @1657   7 years toby migrate help from G2grid; set instparms in Powder imports; seach for …
(edit) @1655   7 years vondreele add a Show/Hide? command in the phase/data menu add importer for ISIS …
(edit) @1646   7 years vondreele allow search for negative density peaks in charge flip and Fourier …
(edit) @1639   7 years vondreele remove a couple of error messages from G2math. implement use of …
(edit) @1635   7 years vondreele modulation functions & constraints
(edit) @1633   7 years vondreele fix wx 3.0.x problem with Size on Progress bars in G2phsGUI & G2pwdGUI …
(edit) @1629   7 years vondreele fix 1st time atom draw problems
(edit) @1625   7 years vondreele add a parameter to result from G2stIO.GetPhaseData? add modulation …
(edit) @1623   7 years vondreele remove stray prints double up modulation plot set roll of 4D map to …
(edit) @1622   7 years vondreele add 4D charge flipping - works to give 3D structure; only enabled for …
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