|
|
|
@3246
|
6 years |
toby |
cif export: use sig for x,x,x positions etc; column order for seq …
|
|
|
|
@3245
|
6 years |
vondreele |
fix problem with incommensurate magnetic structures from CIFhklReader …
|
|
|
|
@3244
|
6 years |
vondreele |
deal with incomplete residues in residue rigid body assign - they are …
|
|
|
|
@3243
|
6 years |
vondreele |
G2ctrlGUI: comment about PyGridTableBase? - python 3?
move VALIDPROTEIN …
|
|
|
|
@3242
|
6 years |
vondreele |
implement calc of mean mustrain from generalized mustrain coefficients
|
|
|
|
@3241
|
6 years |
vondreele |
Add Nobs to print from Hessian LS
fix bug in setting global TLS …
|
|
|
|
@3240
|
6 years |
vondreele |
fix single crystal refine print bug
fade user excluded reflections in …
|
|
|
|
@3239
|
6 years |
vondreele |
implement use of 2-site disordered amino acid residues in proteins: …
|
|
|
|
@3238
|
6 years |
toby |
doc/tutorial updates
|
|
|
|
@3236
|
6 years |
toby |
New simulation tutorial, fix
|
|
|
|
@3235
|
6 years |
toby |
New simulation tutorial
|
|
|
|
@3234
|
6 years |
vondreele |
new G2spc.SSChoice routine finds all allowed super space group symbols …
|
|
|
|
@3233
|
6 years |
toby |
Update ddata after change of phase fraction; Py3 fix for guess format; …
|
|
|
|
@3232
|
6 years |
vondreele |
fix magnetic math in G2strMath
|
|
|
|
@3231
|
6 years |
vondreele |
fix bug in IndexPeaks? display
fix import pypowder issue in G2math
fix …
|
|
|
|
@3230
|
6 years |
toby |
change stacked CSV header
|
|
|
|
@3229
|
6 years |
vondreele |
fix map export for python 3
|
|
|
|
@3228
|
6 years |
toby |
fix rename of PWDR entries
|
|
|
|
@3227
|
6 years |
vondreele |
incommensurate ndexing changes & fixes
|
|
|
|
@3226
|
6 years |
toby |
Add error for fixed point fit w/no points
|
|
|
|
@3225
|
6 years |
vondreele |
fix modulation phase
|
|
|
|
@3224
|
6 years |
vondreele |
fix phase offset in modulations
mark places to fix mag structure …
|
|
|
|
@3223
|
6 years |
toby |
fix histogram export file naming
|
|
|
|
@3222
|
6 years |
vondreele |
fix missing SGGray in incommensurate structures
|
|
|
|
@3221
|
6 years |
vondreele |
fix import of magnetic structures from .EXP files
complete list of pre …
|
|
|
|
@3220
|
6 years |
vondreele |
minor fixes to commensurate magnetic cif import & display
|
|
|
|
@3219
|
6 years |
vondreele |
fix import mag commensurate structures - all drawn correctly now …
|
|
|
|
@3217
|
6 years |
toby |
request file/dir name before saving a PDF
|
|
|
|
@3216
|
6 years |
toby |
add data & parameter access in scripting
|
|
|
|
@3215
|
6 years |
vondreele |
mag incommensurate stuff
|
|
|
|
@3213
|
6 years |
toby |
fix EXP import with extra chars on line
|
|
|
|
@3212
|
6 years |
vondreele |
fix problem of missing rd.MPhase in phase imports
work on display of …
|
|
|
|
@3211
|
6 years |
vondreele |
fix integer divide in wave display
some fixes to mcif import
|
|
|
|
@3210
|
6 years |
vondreele |
some fixes for magnetic incommensurate cifs - dealing with 2 different …
|
|
|
|
@3209
|
6 years |
toby |
Add simulation to scriptable & add to tutorial; add sphinx index to …
|
|
|
|
@3208
|
6 years |
vondreele |
fix transformation bug abc -> abc* needed transform of matrix - …
|
|
|
|
@3207
|
6 years |
toby |
New command-line tutorial
|
|
|
|
@3205
|
6 years |
toby |
expand scripting capabilities and documentation
|
|
|
|
@3204
|
6 years |
toby |
add ming path to makeBat.py
|
|
|
|
@3203
|
6 years |
toby |
binary Py3 updates
|
|
|
|
@3202
|
6 years |
toby |
make scriptable Py3 ready and add new features; minor fix for new G2 …
|
|
|
|
@3200
|
6 years |
vondreele |
fix bugs in various exporters for cif & pdb files.
allow for missing …
|
|
|
|
@3199
|
6 years |
vondreele |
more revisions to the cif phase importer.
|
|
|
|
@3198
|
6 years |
vondreele |
fix cif phase importer - will now read commensurate magnetic & …
|
|
|
|
@3197
|
6 years |
vondreele |
Rearrange SingleStringDialog? window - put '?' at end of text box …
|
|
|
|
@3196
|
6 years |
toby |
minor tweaks of column metadata stuff
|
|
|
|
@3195
|
6 years |
toby |
generalize 1ID metadata import to column-oriented; add routine to test …
|
|
|
|
@3194
|
6 years |
vondreele |
fix to CifFile?
fixes to cbf & tif importers for new Pilatus 2M …
|
|
|
|
@3193
|
6 years |
toby |
better error msg w/o calibrant; search comments when Sample Parameters …
|
|
|
|
@3192
|
6 years |
vondreele |
the cif reader will now read magnetic cif files as two phases - one …
|
|
|
|
@3191
|
6 years |
vondreele |
fix integer divides in responding to unit cell changes on Unit Cells …
|
|
|
|
@3190
|
6 years |
toby |
Search through comments for values of sample parameters & and labels …
|
|
|
|
@3189
|
6 years |
toby |
minor docs updates
|
|
|
|
@3188
|
6 years |
toby |
missing new doc file
|
|
|
|
@3187
|
6 years |
toby |
misc docs cleanups; add 1-ID metadata reader & new config variable
|
|
|
|
@3186
|
6 years |
vondreele |
revisions to integrate images so that masks are reused if not changed …
|
|
|
|
@3185
|
6 years |
vondreele |
fix PDF SetUp? for possible user glitches in metadata
|
|
|
|
@3184
|
6 years |
toby |
improve spacing of AutoInt? output formats
|
|
|
|
@3183
|
6 years |
toby |
Fix Jun-Sang's bug with . in file name
|
|
|
|
@3182
|
6 years |
vondreele |
fix problem in Formula = line where " was used around formula
|
|
|
|
@3181
|
6 years |
toby |
fix warning mdg
|
|
|
|
@3180
|
6 years |
toby |
autointegration updates
|
|
|
|
@3179
|
6 years |
toby |
Py3: sys.platform is linux rather than linux2
|
|
|
|
@3178
|
6 years |
toby |
revised Scons input; builds on all platforms
|
|
|
|
@3177
|
6 years |
vondreele |
fix bug involving load image controls - update of min/max slider values
|
|
|
|
@3176
|
6 years |
vondreele |
Add A centered monoclinics to super symmetry ptssdict
Add import of …
|
|
|
|
@3175
|
6 years |
vondreele |
correct plotting errors in PlotPeakWidths?, add cursor report of …
|
|
|
|
@3174
|
6 years |
vondreele |
force remake of x,y-->2th,azm map if table mode used for auto integration
|
|
|
|
@3173
|
6 years |
vondreele |
ensure limits on multiple powder patterns from integration are …
|
|
|
|
@3172
|
6 years |
vondreele |
change from wx.DefaultSize? to our defaults if window size is 'None'
A …
|
|
|
|
@3171
|
6 years |
vondreele |
fix missing window size parameter
changes to super symmetry selection stuff
|
|
|
|
@3170
|
6 years |
vondreele |
implement saving of data & plot window sizes (along with positions) …
|
|
|
|
@3169
|
6 years |
vondreele |
more complete fixes to G2phase_CIF.py importer for incommensurate …
|
|
|
|
@3168
|
6 years |
vondreele |
fix phase data copy operations - needed copy.deepcopy in 2 places …
|
|
|
|
@3167
|
6 years |
toby |
Misc Py3 fixes
|
|
|
|
@3166
|
6 years |
toby |
Misc Py3 fixes
|
|
|
|
@3165
|
6 years |
vondreele |
fix import of ICDD str files with atom constraints
|
|
|
|
@3164
|
6 years |
vondreele |
fix neutron resonant scattering factor calcs. - neglected constant …
|
|
|
|
@3163
|
6 years |
vondreele |
fix typo in Tb neutron scattering factors; extra space
fix lst output …
|
|
|
|
@3162
|
6 years |
vondreele |
add importer for ICDD .str files
|
|
|
|
@3161
|
6 years |
vondreele |
convert isinstance(val,int) --> 'int' in striphist(type(val)), etc. in …
|
|
|
|
@3160
|
6 years |
vondreele |
fix new PE importer; it was a 32bit float image not int.
|
|
|
|
@3159
|
6 years |
vondreele |
new reader for PE 4343 detector
|
|
|
|
@3158
|
6 years |
vondreele |
add image correction via a gain map
|
|
|
|
@3157
|
6 years |
vondreele |
add Lorentzian term 'Z' to CW profile instrument parameters - constant …
|
|
|
|
@3156
|
6 years |
vondreele |
fix multiplot colors for waterfall plots
|
|
|
|
@3155
|
6 years |
vondreele |
Fix integer divide issue in OnCellChange? in G2pwdGUI
|
|
|
|
@3154
|
6 years |
vondreele |
new & imporved spot mask routines:
manual spot mask now fits position …
|
|
|
|
@3153
|
6 years |
vondreele |
Add choice of setero projection & equal area inv. pole figures in …
|
|
|
|
@3152
|
6 years |
toby |
Fix bug with PE .raw.tif reads
|
|
|
|
@3151
|
6 years |
vondreele |
male all default image pixel sizes [200.,200.] so ValidatedTxtCtrl? …
|
|
|
|
@3150
|
6 years |
vondreele |
fix plotting of inverse pole figures now h-axis horizontal, k-axis …
|
|
|
|
@3149
|
6 years |
vondreele |
Fix Jacobian refine bug
|
|
|
|
@3148
|
6 years |
vondreele |
fix problem with atom refine & I/A selection; 2.7 &7 3.6 compliant
|
|
|
|
@3147
|
6 years |
vondreele |
for image integration use linear interpolation to fill in bins with no …
|
|
|
|
@3146
|
6 years |
vondreele |
add time to G2img_MAR.py, fix open bug in G2pwd_fxye.py
|
|
|
|
@3144
|
6 years |
vondreele |
fix MAR345 & CBF importers to work for python 3.6 as well as python …
|
|
|
|
@3143
|
6 years |
vondreele |
fix ReadMarCCDFrame.py for py 3.6/py 2.7 compatibility & put it back …
|
|
|
|
@3142
|
6 years |
vondreele |
fix AutoIntegrate? for 2.7 & 3.6 - wx.MULTIPLE --> wx.FD_MULTIPLE …
|
|
|
|
@3141
|
6 years |
vondreele |
fix bug in AutoIntegrate? (for py 2.7)
remove a debug print in tif …
|
|
|
|
