Oct 23, 2017 11:39:16 AM (4 years ago)

make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes:
do from future import division, print_function for all GSAS-II py sources
all menu items revised to be py 2.7/3.6 compliant
all wx.OPEN --> wx.FD_OPEN in file dialogs
all integer divides (typically for image pixel math) made explicit with ; ambiguous ones made floats as appropriate
all print "stuff" --> print (stuff)
all print >> pFile,'stuff' --> pFile.writeCIFtemplate('stuff')
all read file opens made explicit 'r' or 'rb'
all cPickle imports made for py2.7 or 3.6 as cPickle or _pickle; test for '2' platform.version_tuple[0] for py 2.7
define cPickleload to select load(fp) or load(fp,encoding='latin-1') for loading gpx files; provides cross compatibility between py 2.7/3.6 gpx files
make dict.keys() as explicit list(dict.keys()) as needed (NB: possible source of remaining py3.6 bugs)
make zip(a,b) as explicit list(zip(a,b)) as needed (NB: possible source of remaining py3.6 bugs)
select unichr/chr according test for '2' platform.version_tuple[0] for py 2.7 (G2pwdGUI * G2plot) for special characters
select wg.EVT_GRID_CELL_CHANGE (classic) or wg.EVT_GRID_CELL_CHANGED (phoenix) in grid Bind
maxint --> maxsize; used in random number stuff
raise Exception,"stuff" --> raise Exception("stuff")
wx 'classic' sizer.DeleteWindows?() or 'phoenix' sizer.Clear(True)
wx 'classic' SetToolTipString?(text) or 'phoenix' SetToolTip?(wx.ToolTip?(text)); define SetToolTipString?(self,text) to handle the choice in plots
status.SetFields? --> status.SetStatusText?
'classic' AddSimpleTool? or 'phoenix' self.AddTool? for plot toolbar; Bind different as well
define GetItemPydata? as it doesn't exist in wx 'phoenix'
allow python versions 2.7 & 3.6 to run GSAS-II
Bind override commented out - no logging capability (NB: remove all logging code?)
all import ContentsValidator? open filename & test if valid then close; filepointer removed from Reader
binary importers (mostly images) test for 'byte' type & convert as needed to satisfy py 3.6 str/byte rules

1 edited


  • trunk/exports/G2export_PDB.py

    r3000 r3136  
     18from __future__ import division, print_function
    1819import numpy as np
    1920import os.path
    2223import GSASIIIO as G2IO
    23 import GSASIIstrIO as G2stIO
    24 #import GSASIImath as G2mth
    2524import GSASIIlattice as G2lat
    26 import GSASIIspc as G2spc
    27 #import GSASIIphsGUI as G2pg
    28 #import GSASIIstrMain as G2stMn
    3026class ExportPhasePDB(G2IO.ExportBaseclass):
    106102        def PDBseqres(seqList):
    107             chains = seqList.keys()
     103            chains = list(seqList.keys())
    108104            chains.sort()
    109105            nSeq = 0
    133129            General = phasedict['General']
    134130            if General['Type'] != 'macromolecular':
    135                 print 'phase '+phasenam+' not macromolecular, skipping'
     131                print ('phase '+phasenam+' not macromolecular, skipping')
    136132                continue
    137133            i = self.Phases[phasenam]['pId']
Note: See TracChangeset for help on using the changeset viewer.