source: trunk

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Diff Rev Age Author Log Message
(edit) @3858   3 years toby stupid Py3 syntax error; docs updates
(edit) @3857   3 years toby Fix scriptable to work w/o wx & mpl; reorg of docs
(edit) @3856   3 years vondreele small mods to GUI for general restraints
(edit) @3855   3 years toby major speed up with very big sequential fits
(edit) @3854   3 years toby fix bug including zero in legend in publ. plot
(edit) @3853   3 years vondreele incomm.mag. mods
(edit) @3852   3 years vondreele implement fix (modified) to open in G2ctrGUI as per Bo Hau Chen (Taiwan)
(edit) @3851   3 years vondreele incommensurate mag. str. fctr. agaiin - now close
(edit) @3850   3 years vondreele replace all 0 with 0. in atom insert or add routines incomm. mag. str …
(edit) @3849   3 years toby finish sequential ref. via scripting; doc updates
(edit) @3848   3 years vondreele since id is a python routine which could be useful in debugging, …
(edit) @3847   3 years toby speed contour plotting
(edit) @3846   3 years vondreele add plot timing for single plots
(edit) @3845   3 years toby more sequential timing; doc fixes for scriptable
(edit) @3844   3 years vondreele blksize = 256 in scriptable as well
(edit) @3843   3 years vondreele change image integration block size to 256 from 1024 - 3x faster …
(edit) @3842   3 years vondreele force number of integration bins to be divisible by 4 - solves crash …
(edit) @3841   3 years vondreele fix problem if image calibrant isn't in local calibration files fix …
(edit) @3840   3 years toby fix scriptable read of TOF; fraction editor for wx 3.0
(edit) @3839   3 years vondreele add some timing for plot patterns - controlled by showTiming more inn. …
(edit) @3838   3 years toby fix previous
(edit) @3837   3 years vondreele more on incomm. mag. str. fctr.
(edit) @3836   3 years toby add timing for SeqRef?; error msg for unlinked hists in scriptable
(edit) @3835   3 years vondreele Allow constraints on modulation vector changes to incommensurate mag. …
(edit) @3834   3 years toby set idstring for simulations as needed; thanx to Thomas Proffen
(edit) @3833   3 years toby add bkg peaks to ref dict & reorg docs
(edit) @3832   3 years vondreele fix reflection list & 3D HKL plots for modulated structures
(edit) @3831   3 years toby add background peaks set/control
(edit) @3830   3 years vondreele modify makeRing to allow optionally a multiplier on number of steps …
(edit) @3829   3 years vondreele fix problem with selecting torsions in residue rigid bodies
(edit) @3828   3 years toby fix cif export w/unused histogram; switch 3.x imports to pickle w/warn …
(edit) @3827   3 years vondreele bad call to wx.FlexGridSizer? in the RB torsion GUI - now fixed
(edit) @3826   3 years vondreele fix future problem with wx.NewId? --> wx.NewIdRef?
(edit) @3825   3 years vondreele create csv exporter for small angle data - includes size distribution …
(edit) @3824   3 years vondreele do ResetFlatBkg? for changing PDF background/container files & …
(edit) @3823   3 years toby attempt to fix more broken doc references
(edit) @3822   3 years toby fixing a broken doc reference?
(edit) @3821   3 years vondreele more changes for incommensurate mag str fctr remove GUI update after …
(edit) @3820   3 years toby implement integration in scripting
(edit) @3819   3 years vondreele fix cursor for old wx versions
(edit) @3818   3 years vondreele implement sqrt(I) plots for multiplots & contour plots - key 's' to …
(edit) @3817   3 years vondreele Add Setcursor utility that presents different cursors on the plot …
(edit) @3816   3 years vondreele Change plot cursor if zoom or pan buttons are pressed
(edit) @3815   3 years toby Add recalibrate & more image load/set routines
(edit) @3814   3 years toby refactor to move some IO-only routines; add initial image support to …
(edit) @3813   3 years vondreele fix problem with update of modulation vector after refinement change …
(edit) @3812   3 years vondreele incommensurate mag str fctr. closer but still not right
(edit) @3811   3 years toby scriptable: fix reading py2 gpx in py3 & use of multi-set instprm files
(edit) @3810   3 years toby fix range object in GPX file; fix spurious warning on tutorial update
(edit) @3809   3 years toby update scriptable to handle banks in data/inst files
(edit) @3808   3 years vondreele latest attempt at incommensurate mag str fctr & some cleanup of dead ends
(edit) @3807   3 years toby warn on numpy 1.16.0
(edit) @3806   3 years toby redo parameter lookup to provide numerical deriv step size (see …
(edit) @3805   3 years vondreele fix normalization of mag moments --> Kvector add save of map peaks as …
(edit) @3804   3 years vondreele implement grid in Instrument parms plot
(edit) @3803   3 years vondreele fix print bug in twin refinement output a fix(?) to the alumina Uij …
(edit) @3802   3 years toby generalized restraints completed
(edit) @3801   3 years vondreele combine cell2AB & Gmat2AB in G2lat fixes to mag. str. fctr. math. …
(edit) @3800   3 years toby remove duplicate _pd_proc_ls_profile_function entry
(edit) @3799   3 years vondreele make sure plot grin is off by default
(edit) @3798   3 years vondreele add toggle for grid lines for most plots
(edit) @3797   3 years vondreele let map peak search find negative peaks.
(edit) @3796   3 years toby fix problem of empty distance/angle table
(edit) @3795   3 years vondreele fix space group & incommensurate space group displays for mag. …
(edit) @3794   3 years toby add routine to turn off zoom/pan
(edit) @3793   3 years toby add density to CIF
(edit) @3792   3 years vondreele Add density to lst output
(edit) @3791   3 years toby cleanup constraint display more
(edit) @3790   3 years toby make sure off-diagonal terms that must compute as 0 are fixed
(edit) @3789   3 years toby fix transpose error for lattice constraints
(edit) @3788   3 years toby generate cell parm constraints for magnetic cells; fix errors in …
(edit) @3787   3 years vondreele remove stray print statement fix issues with doing incommensurate cell …
(edit) @3786   3 years vondreele fix problem of import ElementTable? inside spyder allow import o …
(edit) @3785   3 years toby generate lattice constraints for mag. xform
(edit) @3784   3 years toby generate lattice constraints for mag. xform
(edit) @3783   3 years vondreele fix Bruker read problem - checked with 1 & 2 block RAW 1.01 files add …
(edit) @3782   3 years toby enable/disable export menu items rather than menu contents
(edit) @3781   3 years toby Add seq. results exports to main Export menu; enable/disable export …
(edit) @3780   3 years toby fix typos; error in CIF Dij reporting; improve generalized restraint GUI
(edit) @3779   3 years vondreele fix problems with image sum fix problem with samplechangerpos
(edit) @3778   3 years vondreele correct calculation of FWHM for TOF data & fix the alp values in the …
(edit) @3777   3 years vondreele fix wx.SAVE --> wx.FD_SAVE bug work on incommensurate magnetic …
(edit) @3776   3 years toby match new bootstrap option
(edit) @3774   3 years vondreele fix super indexing problem in transposeHKLF fix reflection generation …
(edit) @3773   3 years vondreele Uncomment lines 3534 & 3535 commented in rev 3004 - messed up Ka2 part …
(edit) @3772   3 years toby add GUI (seen in debug mode only) for general (equation specified) …
(edit) @3771   3 years vondreele cleanup of fprime & absorb
(edit) @3770   3 years vondreele fix limits for Crenel coeff. Fix plot of calculated waves
(edit) @3769   3 years toby GUI crash on latey entry/type
(edit) @3768   3 years vondreele name fix for single crystal 1D plots remove ZigZag? & Block from …
(edit) @3767   3 years vondreele add sample changer position as an image parameter & have it show up in …
(edit) @3766   3 years vondreele Add Absorb and Fprime to the main Calculate menu
(edit) @3765   3 years vondreele allow a selected data copy of 'newLeBail' flag - facilitates …
(edit) @3764   3 years vondreele fixes to nonFourier modulation & derivatives - zigzag works
(edit) @3763   3 years vondreele improvements to 1D structure factor plots - now much faster, 'q' & 'f' …
(edit) @3762   3 years vondreele updates to plot1D structure factors; q & d plots, F & F2 plots, hkls …
(edit) @3761   3 years vondreele avoid replotting structure if atom refine flags are changed add new …
(edit) @3760   3 years vondreele remove AwaveType?,PwaveType?,FwaveType? & MwaveType? from constraints …
(edit) @3759   3 years vondreele add fullIntegrate = True to configuration stuff add input control for …
(edit) @3758   3 years toby more fullprof .dat fiddling
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