source: trunk/exports/G2export_CIF.py

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Diff Rev Age Author Log Message
(edit) @4661   5 years toby update CIF export: add rigid body, fix bug in single xtal ref tbl; …
(edit) @4657   5 years toby fix CIF bug with excluded points
(edit) @4474   5 years vondreele fix minor cif problem - order of "source" and "neutron"
(edit) @4433   5 years toby fix problem where histogram has reflections, but is not in phase; …
(edit) @4411   5 years toby bug in CIF export; misc cleanup
(edit) @4402   5 years toby add scattering factors to CIF; catch overwrite of 1st reflection bug(\!\!)
(edit) @4361   5 years toby fix hist CIF export, remove dev. ver of IntPDFtool
(edit) @4289   5 years vondreele start on 'Compare' for comparison of bonding polyhedra between phases …
(edit) @3828   6 years toby fix cif export w/unused histogram; switch 3.x imports to pickle w/warn …
(edit) @3800   6 years toby remove duplicate _pd_proc_ls_profile_function entry
(edit) @3796   6 years toby fix problem of empty distance/angle table
(edit) @3793   6 years toby add density to CIF
(edit) @3780   6 years toby fix typos; error in CIF Dij reporting; improve generalized restraint GUI
(edit) @3675   7 years vondreele 5 spaces for d-spacing in exported cif files - per Jim Kaduk's request …
(edit) @3564   7 years toby change _pd_refln_d_spacing to _refln_d_spacing for pdCIFplot compatibility
(edit) @3496   7 years vondreele fix issues with masks & powder patterns remove stray print
(edit) @3491   7 years vondreele fix export/import of magnetic cifs
(edit) @3487   7 years vondreele fix a phoenix/classic issue with SetChecked? vs SetCheckedItems? in …
(edit) @3465   7 years vondreele deal with export/import issues for mag cif files fix bug for new phase …
(edit) @3464   7 years vondreele fix Unit cell load/import cells to force R3-H fro rhombohedral cases …
(edit) @3260   7 years toby misc Py3 fixes
(edit) @3253   7 years toby remove extraneous reload; improve scriptable docs
(edit) @3246   7 years toby cif export: use sig for x,x,x positions etc; column order for seq …
(edit) @3216   7 years toby add data & parameter access in scripting
(edit) @3200   8 years vondreele fix bugs in various exporters for cif & pdb files. allow for missing …
(edit) @3136   8 years vondreele make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
(edit) @3101   8 years vondreele change SetScrollRate?(1,1) to SetScrollRate?(10,10) - improves scrolling …
(edit) @3027   8 years odonnell no wx dependency for export
(edit) @3024   8 years toby fix DisAgl? problem in CIF export
(edit) @3019   8 years odonnell fixed error in refactoring
(edit) @3011   8 years odonnell CIF export. changelist: * Start using argparse module in …
(edit) @3000   8 years toby make the two frame version the trunk as we hit version 3000
(edit) @2897   8 years toby fix full CIF export bug
(edit) @2867   8 years toby fix sequential exports
(edit) @2819   8 years vondreele fix printing of nonascii characters (e.g. "umlaut-o") in file names, …
(edit) @2738   8 years vondreele removed all "except Exception as detail" blocks from importers & …
(edit) @2733   8 years toby fix min/max in CIF
(edit) @2706   8 years toby deal with all atoms having fractional occupancies
(edit) @2567   9 years vondreele fix to export CIF sym. op. problem use ValidatedTxtctrl? for all values …
(edit) @2543   9 years toby deal a bit better with Unicode file names in CIF exports
(edit) @2529   9 years toby fix I100 error in multiphase CIFs
(edit) @2527   9 years toby remove debug code; remove code causing error on CIF export
(edit) @2516   9 years toby revise import to not assume Bank 1 with multibank instparm files; deal …
(edit) @2449   9 years toby Fix CIF exports; make sure exporters are imported only once (on Mac)
(edit) @2433   9 years toby update for sequential export
(edit) @2354   9 years toby fix export of TOF powder data
(edit) @2143   9 years vondreele fix cif UIJ order of keys - values OK work on hkl merge all but 321 & …
(edit) @2136   9 years vondreele fix indexing problem in 32 bit versions - Skip in ProgressDialog? …
(edit) @2109   10 years toby Andrey's enhancement: keep track of last GPX, import & export …
(edit) @1831   10 years toby move remaining generic controls to G2ctrls
(edit) @1782   10 years vondreele fix display of fixed wavelength selection show no. user rejected refl. …
(edit) @1659   10 years vondreele get fourier density min/max & keep them enter fourier min/max into cif file
(edit) @1658   10 years vondreele correct bugs in single crystal cif output - now good for TOF data …
(edit) @1496   11 years vondreele Add sequential peak fitting. Change Back:n to Back;n for background …
(edit) @1261   11 years toby reorg exports to implement directory selection
(edit) @1130   12 years toby CIF export: use G2 T & P values, fix profile inclusion to show all hists
(edit) @1127   12 years toby more export changes to catch up to data structure updates; update …
(edit) @1126   12 years toby fix radii editing & reflection table access in CIF export
(edit) @1123   12 years toby add import and export routines to sphinx
(edit) @1117   12 years toby update some menu labels; Add new multi-item selector; Add map export; …
(edit) @1115   12 years toby rework exports for new types
(edit) @1102   12 years toby change exports to always have lists of phases & histograms; new export …
(copy) @1081   12 years toby revise export menu; add multiple selection to G2gd.ItemSelector?
copied from trunk/exports/G2cif.py:
(edit) @1079   12 years vondreele small changes to G2cif for macromolecular structures; make atom names …
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