Changeset 2449 for trunk/exports


Ignore:
Timestamp:
Aug 24, 2016 9:20:07 PM (5 years ago)
Author:
toby
Message:

Fix CIF exports; make sure exporters are imported only once (on Mac)

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/exports/G2export_CIF.py

    r2433 r2449  
    1616publication. In addition, there are three subclasses of :class:`ExportCIF`:
    1717:class:`ExportProjectCIF`,
    18 :class:`ExportPhaseCIF` and :class:`ExportDataCIF` that
    19 export a project, single phase or data set. Note that ``self.mode`` determines
    20 what is written:
    21 
    22  * `self.mode="simple"` creates a simple CIF with only coordinates
    23    or data, while
    24 
    25  * `self.mode="full"` creates a complete CIF of project.
    26  
     18:class:`ExportPhaseCIF` and :class:`ExportDataCIF` where extra parameters
     19for the _Exporter() determine if a project, single phase or data set are written.
    2720'''
    2821
     
    5750    '''Base class for CIF exports
    5851    '''
    59     def __init__(self,G2frame):
    60         super(self.__class__,self).__init__( # fancy way to say <parentclass>.__init__
    61             G2frame=G2frame,
    62             formatName = 'Full CIF',
    63             extension='.cif',
    64             longFormatName = 'Export project as CIF'
    65             )
     52    def __init__(self,G2frame,formatName,extension,longFormatName=None,):
     53        G2IO.ExportBaseclass.__init__(self,G2frame,formatName,extension,longFormatName=None)
    6654        self.exporttype = []
    6755        self.author = ''
    68         self.mode = ''
     56        self.CIFname = ''
    6957
    7058    def _Exporter(self,event=None,phaseOnly=None,histOnly=None):
    71         '''Basic code to export a CIF. Export can be full or simple (as set by self.mode).
    72         "simple" skips data, distances & angles, etc. and can only include
    73         a single phase while "full" is intended for for publication submission.
     59        '''Basic code to export a CIF. Export can be full or simple, as set by
     60        phaseOnly and histOnly which skips distances & angles, etc.
    7461        '''
    7562
     
    12891276                return False  # cancel was pressed
    12901277            self.author = dlg.GetValue()
     1278            self.shortauthorname = self.author.replace(',','').replace(' ','')[:20]
    12911279            dlg.Destroy()
    12921280            try:
     
    12951283                pass
    12961284            return True
     1285
    12971286        def EditInstNames(event=None):
    12981287            'Provide a dialog for editing instrument names'
     
    15971586            dlg.ShowModal()
    15981587           
    1599 #***** end of functions for export method =======================================
     1588#=================================================================================
     1589#===== end of function definitions for _Exporter =================================
    16001590#=================================================================================
    16011591        # make sure required information is present
    16021592        self.CIFdate = dt.datetime.strftime(dt.datetime.now(),"%Y-%m-%dT%H:%M")
    1603         self.CIFname = self.CIFname.replace(' ','')
    1604         if not self.CIFname: # none defined & needed, save as GPX to get one
    1605             self.G2frame.OnFileSaveas(None)
     1593        if not self.CIFname: # Get a name for the CIF. If not defined, use the GPX name (save if that is needed).
     1594            if not self.G2frame.GSASprojectfile:
     1595                self.G2frame.OnFileSaveas(None)
    16061596            if not self.G2frame.GSASprojectfile: return
    16071597            self.CIFname = os.path.splitext(
     
    16141604        except KeyError:
    16151605            pass
    1616         while not (self.author or self.quickmode):
    1617             if not EditAuthor(): return
    1618         self.shortauthorname = self.author.replace(',','').replace(' ','')[:20]
    1619            
    16201606        if phaseOnly:
     1607            print('Writing CIF output to file '+str(self.filename))
     1608            self.OpenFile()
    16211609            oneblock = True
    16221610            self.quickmode = True
     
    16281616            # report the phase info
    16291617            WritePhaseInfo(phaseOnly)
     1618            self.CloseFile()
    16301619            return
    1631         elif histOnly and len(self.Phases) == 1:
     1620        elif histOnly:
     1621            print('Writing CIF output to file '+str(self.filename))
     1622            self.OpenFile()
    16321623            hist = histOnly
    16331624            histname = histOnly.replace(' ','')
    16341625            oneblock = True
    1635             self.quickmode = False
     1626            self.quickmode = True
    16361627            self.ifHKLF = False
    16371628            self.ifPWDR = True
    16381629            self.Write(' ')
    16391630            self.Write(70*'#')
    1640             phasenam = self.Phases.keys()[0]
     1631            #phasenam = self.Phases.keys()[0]
    16411632            WriteCIFitem('data_'+self.CIFname)
    16421633            #print 'phasenam',phasenam
    16431634            #phaseblk = self.Phases[phasenam] # pointer to current phase info
    1644             instnam = instnam.replace(' ','')
    1645             WriteCIFitem('_pd_block_id',
    1646                          str(self.CIFdate) + "|" + str(self.CIFname) + "|" +
    1647                          str(self.shortauthorname) + "|" + instnam + '|' + histname)
     1635            #instnam = instnam.replace(' ','')
     1636            #WriteCIFitem('_pd_block_id',
     1637            #             str(self.CIFdate) + "|" + str(self.CIFname) + "|" +
     1638            #             str(self.shortauthorname) + "|" + instnam + '|' + histname)
    16481639            #WriteAudit()
    16491640            #writeCIFtemplate(self.OverallParms['Controls'],'publ') # overall (publication) template
     
    16511642            #writeCIFtemplate(self.Phases[phasenam]['General'],'phase',phasenam) # write phase template
    16521643            # report the phase info
    1653             WritePhaseInfo(phasenam,hist)
     1644            #WritePhaseInfo(phasenam,hist)
    16541645            # preferred orientation
    16551646            #SH = FormatSH(phasenam)
     
    16681659            #writeCIFtemplate(histblk,'powder',histblk['InstrName']) # write powder template
    16691660            WritePowderData(hist)
     1661            self.CloseFile()
    16701662            return
    1671         elif histOnly:
    1672             hist = histOnly
    1673             histname = '|' + histOnly.replace(' ','')
    1674             self.ifHKLF = False
    1675             if hist.startswith("PWDR"):
    1676                 self.ifPWDR = True
    1677                 if not self.Histograms[hist]["Sample Parameters"].get('InstrName'):
    1678                     self.Histograms[hist]["Sample Parameters"]['InstrName'] = 'Unknown'
    1679             else:
    1680                 print("error: not Powder")
    1681                 return
    1682             oneblock = False
    1683             self.quickmode = False
    1684             #=== multiblock: multiple phases and/or histograms ====================
    1685             self.Write(70*'#')
    1686             #WriteCIFitem('\ndata_'+self.CIFname+'_publ')
    1687             #WriteAudit()
    1688             #WriteCIFitem('_pd_block_id',
    1689             #    str(self.CIFdate) + "|" + str(self.CIFname) + "|" +
    1690             #                 str(self.shortauthorname) + histname + "|Overall")
    1691             #writeCIFtemplate(self.OverallParms['Controls'],'publ') #insert the publication template
    1692                 # ``template_publ.cif`` or a modified version
    1693                 # overall info
    1694             WriteCIFitem('data_'+str(self.CIFname)+ histname +'_overall')
    1695             #WriteOverall() # this does not give right value
    1696             #============================================================
    1697             WriteCIFitem('# POINTERS TO PHASE AND HISTOGRAM BLOCKS')
    1698             datablockidDict = {} # save block names here -- N.B. check for conflicts between phase & hist names (unlikely!)
    1699             # loop over phase blocks
    1700             loopprefix = ''
    1701             WriteCIFitem('loop_   _pd_phase_block_id')
    1702 
    1703             for phasenam in sorted(self.Phases.keys()):
    1704                 i = self.Phases[phasenam]['pId']
    1705                 datablockidDict[phasenam] = (str(self.CIFdate) + "|" + str(self.CIFname) + "|" +
    1706                                  'phase_'+ str(i) + '|' + str(self.shortauthorname) + histname)
    1707                 WriteCIFitem(loopprefix,datablockidDict[phasenam])
    1708             # data block
    1709             loopprefix = '_pd_block_diffractogram_id'
    1710             histblk = self.Histograms[hist]
    1711             instnam = histblk["Sample Parameters"]['InstrName']
    1712             instnam = instnam.replace(' ','')
    1713             j = histblk['hId']
    1714             datablockidDict[hist] = (str(self.CIFdate) + "|" + str(self.CIFname) + "|" +
    1715                                              str(self.shortauthorname) + "|" +
    1716                                              instnam + "_hist_"+str(j))
    1717             WriteCIFitem(loopprefix,datablockidDict[hist])
    1718             #============================================================
    1719             # loop over phases, exporting them
    1720             phasebyhistDict = {} # create a cross-reference to phases by histogram
    1721             for j,phasenam in enumerate(sorted(self.Phases.keys())):
    1722                 i = self.Phases[phasenam]['pId']
    1723                 WriteCIFitem('\ndata_'+self.CIFname+"_phase_"+str(i))
    1724                 WriteCIFitem('# Information for phase '+str(i))
    1725                 WriteCIFitem('_pd_block_id',datablockidDict[phasenam])
    1726                 # report the phase
    1727                 #writeCIFtemplate(self.Phases[phasenam]['General'],'phase',phasenam) # write phase template
    1728                 WritePhaseInfo(phasenam,hist)
    1729                 # preferred orientation
    1730                 #SH = FormatSH(phasenam)
    1731                 #MD = FormatHAPpo(phasenam)
    1732                 #if SH and MD:
    1733                 #    WriteCIFitem('_pd_proc_ls_pref_orient_corr', SH + '\n' + MD)
    1734                 #elif SH or MD:
    1735                 #    WriteCIFitem('_pd_proc_ls_pref_orient_corr', SH + MD)
    1736                 #else:
    1737                 #    WriteCIFitem('_pd_proc_ls_pref_orient_corr', 'none')
    1738                 # report sample profile terms
    1739                 #PP = FormatPhaseProfile(phasenam)
    1740                 #if PP: WriteCIFitem('_pd_proc_ls_profile_function',PP)
    1741 
    1742                 #============================================================
    1743             # export selected histogram
    1744             histblk = self.Histograms[hist]
    1745             WriteCIFitem('\ndata_'+self.CIFname+"_pwd_"+str(i))
    1746                         #instnam = histblk["Sample Parameters"]['InstrName']
    1747                         # report instrumental profile terms
    1748             WriteCIFitem('_pd_proc_ls_profile_function',
    1749                     FormatInstProfile(histblk["Instrument Parameters"],histblk['hId']))
    1750             WriteCIFitem('# Information for histogram '+str(i)+': '+hist)
    1751             WriteCIFitem('_pd_block_id',datablockidDict[hist])
    1752             histprm = self.Histograms[hist]["Sample Parameters"]
    1753             #writeCIFtemplate(histprm,'powder',histprm['InstrName']) # powder template
    1754             WritePowderData(hist)
    1755             return
    1756 
     1663        #===============================================================================
    17571664        # the normal export process starts here
     1665        #===============================================================================
    17581666        # get the project file name
    17591667        self.CIFname = os.path.splitext(
     
    17651673        # create a dict with refined values and their uncertainties
    17661674        self.loadParmDict()
    1767         if self.mode=='simple':
    1768             if self.ExportSelect('ask'): return
    1769         else:
    1770             if self.ExportSelect('default'): return
     1675        if self.ExportSelect('ask'): return
     1676        #if self.ExportSelect('default'): return
    17711677        # Someday: get restraint & constraint info
    17721678        #restraintDict = self.OverallParms.get('Restraints',{})
     
    17821688               'Project does not contain any data or phases. Are they interconnected?')
    17831689           return
     1690        if not self.author:
     1691            if not EditAuthor(): return
    17841692        # test for quick CIF mode or no data
    17851693        self.quickmode = False
    17861694        phasenam = None # include all phases
    1787         if self.mode == "simple" and self.currentExportType == 'phase':
    1788             if len(self.Phases) == 0: # this check is probably not needed
    1789                 self.G2frame.ErrorDialog(
    1790                     'No phase present',
    1791                     'Cannot create a coordinates CIF with no phases')
    1792                 return
    1793             self.quickmode = True
    1794             oneblock = True
    1795             if len(self.Phases) > 1: # quick mode: get selected phase
    1796                 phasenam = self.phasenam[0]
    1797         elif self.mode == "simple": # powder/single xtal data export
    1798             self.quickmode = True
    1799             oneblock = True
    18001695        # Project export: will this require a multiblock CIF?
    1801         elif len(self.Phases) > 1:
     1696        if len(self.Phases) > 1:
    18021697            oneblock = False
    18031698        elif len(self.powderDict) + len(self.xtalDict) > 1:
     
    18091704        self.ifPWDR = False
    18101705        self.ifHKLF = False
    1811         if not self.quickmode:
    1812             invalid = 0
    1813             key3 = 'InstrName'
    1814             for hist in self.Histograms:
    1815                 if hist.startswith("PWDR"):
    1816                     self.ifPWDR = True
    1817                     key2 = "Sample Parameters"
    1818                     d = self.Histograms[hist][key2]
    1819                 elif hist.startswith("HKLF"):
    1820                     self.ifHKLF = True
    1821                     key2 = "Instrument Parameters"
    1822                     d = self.Histograms[hist][key2][0]                   
    1823                 instrname = d.get(key3)
    1824                 if instrname is None:
    1825                     d[key3] = ''
    1826                     invalid += 1
    1827                 elif instrname.strip() == '':
    1828                     invalid += 1
    1829             if invalid:
    1830                 msg = ""
    1831                 if invalid > 3: msg = (
    1832                     "\n\nNote: it may be faster to set the name for\n"
    1833                     "one histogram for each instrument and use the\n"
    1834                     "File/Copy option to duplicate the name"
    1835                     )
    1836                 if not EditInstNames(): return
    1837         if not self.quickmode:
    1838             # check for a distance-angle range search range for each phase
    1839             for phasenam in sorted(self.Phases.keys()):
    1840                 #i = self.Phases[phasenam]['pId']
    1841                 phasedict = self.Phases[phasenam] # pointer to current phase info           
    1842                 if 'DisAglCtls' not in phasedict['General']:
    1843                     dlg = G2gd.DisAglDialog(
    1844                         self.G2frame,
    1845                         {},
    1846                         phasedict['General'])
    1847                     if dlg.ShowModal() == wx.ID_OK:
    1848                         phasedict['General']['DisAglCtls'] = dlg.GetData()
    1849                     else:
    1850                         dlg.Destroy()
    1851                         return
     1706        invalid = 0
     1707        key3 = 'InstrName'
     1708        for hist in self.Histograms:
     1709            if hist.startswith("PWDR"):
     1710                self.ifPWDR = True
     1711                key2 = "Sample Parameters"
     1712                d = self.Histograms[hist][key2]
     1713            elif hist.startswith("HKLF"):
     1714                self.ifHKLF = True
     1715                key2 = "Instrument Parameters"
     1716                d = self.Histograms[hist][key2][0]                   
     1717            instrname = d.get(key3)
     1718            if instrname is None:
     1719                d[key3] = ''
     1720                invalid += 1
     1721            elif instrname.strip() == '':
     1722                invalid += 1
     1723        if invalid:
     1724            msg = ""
     1725            if invalid > 3: msg = (
     1726                "\n\nNote: it may be faster to set the name for\n"
     1727                "one histogram for each instrument and use the\n"
     1728                "File/Copy option to duplicate the name"
     1729                )
     1730            if not EditInstNames(): return
     1731           
     1732        # check for a distance-angle range search range for each phase
     1733        for phasenam in sorted(self.Phases.keys()):
     1734            #i = self.Phases[phasenam]['pId']
     1735            phasedict = self.Phases[phasenam] # pointer to current phase info           
     1736            if 'DisAglCtls' not in phasedict['General']:
     1737                dlg = G2gd.DisAglDialog(
     1738                    self.G2frame,
     1739                    {},
     1740                    phasedict['General'])
     1741                if dlg.ShowModal() == wx.ID_OK:
     1742                    phasedict['General']['DisAglCtls'] = dlg.GetData()
     1743                else:
    18521744                    dlg.Destroy()
    1853         if not self.quickmode:
    1854             # check if temperature values & pressure are defaulted
    1855             default = 0
    1856             for hist in self.Histograms:
    1857                 if hist.startswith("PWDR"):
    1858                     key2 = "Sample Parameters"
    1859                     T = self.Histograms[hist][key2].get('Temperature')
    1860                     if not T:
    1861                         default += 1
    1862                     elif T == 300:
    1863                         default += 1
    1864                     P = self.Histograms[hist][key2].get('Pressure')
    1865                     if not P:
    1866                         default += 1
    1867                     elif P == 1:
    1868                         default += 1
    1869             if default > 0:
    1870                 dlg = wx.MessageDialog(
    1871                     self.G2frame,
    1872                     'Temperature/Pressure values appear to be defaulted for some powder histograms (See Sample Parameters for each PWDR tree entry). Do you want to use those values?',
    1873                     'Check T and P values',
    1874                     wx.OK|wx.CANCEL)
    1875                 ret = dlg.ShowModal()
     1745                    return
    18761746                dlg.Destroy()
    1877                 if ret != wx.ID_OK: return
    1878         if oneblock and not self.quickmode:
     1747
     1748        # check if temperature values & pressure are defaulted
     1749        default = 0
     1750        for hist in self.Histograms:
     1751            if hist.startswith("PWDR"):
     1752                key2 = "Sample Parameters"
     1753                T = self.Histograms[hist][key2].get('Temperature')
     1754                if not T:
     1755                    default += 1
     1756                elif T == 300:
     1757                    default += 1
     1758                P = self.Histograms[hist][key2].get('Pressure')
     1759                if not P:
     1760                    default += 1
     1761                elif P == 1:
     1762                    default += 1
     1763        if default > 0:
     1764            dlg = wx.MessageDialog(
     1765                self.G2frame,
     1766                'Temperature/Pressure values appear to be defaulted for some powder histograms (See Sample Parameters for each PWDR tree entry). Do you want to use those values?',
     1767                'Check T and P values',
     1768                wx.OK|wx.CANCEL)
     1769            ret = dlg.ShowModal()
     1770            dlg.Destroy()
     1771            if ret != wx.ID_OK: return
     1772        if oneblock:
    18791773            # select a dataset to use (there should only be one set in one block,
    18801774            # but take whatever comes 1st)
     
    18871781                    instnam = histblk["Instrument Parameters"][0]['InstrName']
    18881782                    break # ignore all but 1st data histogram
    1889         if not self.quickmode: # give the user a chance to edit all defaults
    1890             self.cifdefs = wx.Dialog(
    1891                 self.G2frame,
    1892                 style=wx.DEFAULT_DIALOG_STYLE | wx.RESIZE_BORDER)
    1893             EditCIFDefaults()
    1894             self.cifdefs.CenterOnParent()
    1895             val = self.cifdefs.ShowModal()
    1896             self.cifdefs.Destroy()
    1897             if val != wx.ID_OK:
    1898                 return
     1783        # give the user a chance to edit all defaults
     1784        self.cifdefs = wx.Dialog(
     1785            self.G2frame,
     1786            style=wx.DEFAULT_DIALOG_STYLE | wx.RESIZE_BORDER)
     1787        EditCIFDefaults()
     1788        self.cifdefs.CenterOnParent()
     1789        val = self.cifdefs.ShowModal()
     1790        self.cifdefs.Destroy()
     1791        if val != wx.ID_OK:
     1792            return
    18991793        #======================================================================
    19001794        # Start writing the CIF - single block
     
    19131807            else:
    19141808                print "should not happen"
    1915         elif self.quickmode:
    1916             #====Phase only CIF ====================================================
    1917             WriteCIFitem('data_'+self.CIFname)
    1918             if phasenam is None: # if not already selected, select the first phase (should be one)
    1919                 phasenam = self.Phases.keys()[0]
    1920             #print 'phasenam',phasenam
    1921             #phaseblk = self.Phases[phasenam] # pointer to current phase info
    1922             # report the phase info
    1923             WritePhaseInfo(phasenam)
    19241809        elif oneblock:
    19251810            #====Single block, data & phase CIF ===================================
     
    21051990    '''
    21061991    def __init__(self,G2frame):
    2107         G2IO.ExportBaseclass.__init__(self,
     1992        ExportCIF.__init__(self,
    21081993            G2frame=G2frame,
    21091994            formatName = 'Full CIF',
     
    21121997            )
    21131998        self.exporttype = ['project']
    2114 
     1999       
    21152000    def Exporter(self,event=None):
    2116         self._Exporter(self,event=event)
     2001        self._Exporter(event=event)
    21172002
    21182003    def Writer(self,hist,mode='w'):
     
    21302015class ExportPhaseCIF(ExportCIF):
    21312016    '''Used to create a simple CIF with one phase. Uses exact same code as
    2132     :class:`ExportCIF` except that `self.mode` is set to "simple" in `self.InitExport`.
     2017    :class:`ExportCIF` except that `phaseOnly` is set for the Exporter
    21332018    Shows up in menu as Quick CIF.
    21342019
     
    21362021    '''
    21372022    def __init__(self,G2frame):
    2138         G2IO.ExportBaseclass.__init__(self,
     2023        ExportCIF.__init__(self,
    21392024            G2frame=G2frame,
    21402025            formatName = 'Quick CIF',
     
    21452030        # CIF-specific items
    21462031        self.author = ''
    2147         self.mode = 'simple'
    21482032
    21492033    def Exporter(self,event=None):
    2150         self._Exporter(self,event=event)
     2034        # get a phase and file name
     2035        # the export process starts here
     2036        self.InitExport(event)
     2037        # load all of the tree into a set of dicts
     2038        self.loadTree()
     2039        # create a dict with refined values and their uncertainties
     2040        self.loadParmDict()
     2041        self.multiple = False
     2042        self.currentExportType = 'phase'
     2043        if self.ExportSelect('ask'): return
     2044        self._Exporter(event=event,phaseOnly=self.phasenam[0])
    21512045
    21522046    def Writer(self,hist,phasenam,mode='w'):
     
    21602054        self.CloseFile()
    21612055
    2162 class ExportDataCIF(ExportCIF):
     2056class ExportPwdrCIF(ExportCIF):
    21632057    '''Used to create a simple CIF containing diffraction data only. Uses exact same code as
    2164     :class:`ExportCIF` except that `self.mode` is set to "simple" and `self.currentExportType`
    2165     is set to "single" or "powder" in `self.InitExport`. Shows up in menus as Data-only CIF.
     2058    :class:`ExportCIF` except that `histOnly` is set for the Exporter
     2059    Shows up in menu as Quick CIF.
    21662060
    21672061    :param wx.Frame G2frame: reference to main GSAS-II frame
    21682062    '''
    21692063    def __init__(self,G2frame):
    2170         G2IO.ExportBaseclass.__init__(self,
     2064        ExportCIF.__init__(self,
    21712065            G2frame=G2frame,
    21722066            formatName = 'Data-only CIF',
     
    21742068            longFormatName = 'Export data as CIF'
    21752069            )
    2176         self.exporttype = ['single','powder']
     2070        self.exporttype = ['powder']
    21772071        # CIF-specific items
    21782072        self.author = ''
    2179         self.mode = 'simple'
    21802073
    21812074    def Exporter(self,event=None):
    2182         self._Exporter(self,event=event)
    2183        
     2075        self.InitExport(event)
     2076        # load all of the tree into a set of dicts
     2077        self.currentExportType = None
     2078        self.loadTree()
     2079        self.currentExportType = 'powder'
     2080        # create a dict with refined values and their uncertainties
     2081        self.loadParmDict()
     2082        self.multiple = False
     2083        if self.ExportSelect( # set export parameters
     2084            AskFile='ask' # get a file name/directory to save in
     2085            ): return
     2086        self._Exporter(event=event,histOnly=self.histnam[0])
     2087
     2088class ExportHKLCIF(ExportCIF):
     2089    '''Used to create a simple CIF containing diffraction data only. Uses exact same code as
     2090    :class:`ExportCIF` except that `histOnly` is set for the Exporter
     2091    Shows up in menu as Quick CIF.
     2092
     2093    :param wx.Frame G2frame: reference to main GSAS-II frame
     2094    '''
     2095    def __init__(self,G2frame):
     2096        ExportCIF.__init__(self,
     2097            G2frame=G2frame,
     2098            formatName = 'Data-only CIF',
     2099            extension='.cif',
     2100            longFormatName = 'Export data as CIF'
     2101            )
     2102        self.exporttype = ['single']
     2103        # CIF-specific items
     2104        self.author = ''
     2105
     2106    def Exporter(self,event=None):
     2107        self.InitExport(event)
     2108        # load all of the tree into a set of dicts
     2109        self.currentExportType = None
     2110        self.loadTree()
     2111        self.currentExportType = 'single'
     2112        # create a dict with refined values and their uncertainties
     2113        self.loadParmDict()
     2114        self.multiple = False
     2115        if self.ExportSelect( # set export parameters
     2116            AskFile='ask' # get a file name/directory to save in
     2117            ): return
     2118        self._Exporter(event=event,histOnly=self.histnam[0])
     2119               
    21842120#===============================================================================
    21852121# misc CIF utilities
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