Changeset 3850 for trunk/GSASIIphsGUI.py


Ignore:
Timestamp:
Mar 11, 2019 3:36:11 PM (3 years ago)
Author:
vondreele
Message:

replace all 0 with 0. in atom insert or add routines
incomm. mag. str fctr. calcs closer.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r3848 r3850  
    31653165        if data['General']['Type'] == 'magnetic':
    31663166            Elem = 'Fe'
    3167         AtomAdd(0,0,0,El=Elem)
     3167        AtomAdd(0.,0.,0.,El=Elem)
    31683168        FillAtomsGrid(Atoms)
    31693169        event.StopPropagation()
     
    31803180            AtomAdd(x,y,z,El=Elem)
    31813181        except:
    3182             AtomAdd(0,0,0,El=Elem)
     3182            AtomAdd(0.,0.,0.,El=Elem)
    31833183        FillAtomsGrid(Atoms)
    31843184        event.StopPropagation()
     
    32203220        indx = GetSelectedAtoms()
    32213221        for a in reversed(sorted(indx)):
    3222             AtomInsert(a,0,0,0)
     3222            AtomInsert(a,0.,0.,0.)
    32233223        event.StopPropagation()
    32243224        FillAtomsGrid(Atoms)
     
    34443444        atId = ran.randint(0,sys.maxsize)
    34453445        if generalData['Type'] == 'macromolecular':
    3446             atomData.insert(indx,[0,Name,'',Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.10,0,0,0,0,0,0,atId])
     3446            atomData.insert(indx,[0,Name,'',Name,El,'',x,y,z,1.,Sytsym,Mult,'I',0.10,0,0,0,0,0,0,atId])
    34473447        elif generalData['Type'] in ['nuclear','faulted',]:
    34483448            if generalData['Modulated']:
    3449                 atomData.insert(indx,[Name,El,'',x,y,z,1,Sytsym,Mult,0,'I',0.01,0,0,0,0,0,0,atId,[],[],
     3449                atomData.insert(indx,[Name,El,'',x,y,z,1,Sytsym,Mult,0.,'I',0.01,0,0,0,0,0,0,atId,[],[],
    34503450                    {'SS1':{'waveType':'Fourier','Sfrac':[],'Spos':[],'Sadp':[],'Smag':[]}}])
    34513451            else:
    3452                 atomData.insert(indx,[Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId])
     3452                atomData.insert(indx,[Name,El,'',x,y,z,1.,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId])
    34533453            SetupGeneral()
    34543454        elif generalData['Type'] == 'magnetic':
    34553455            if generalData['Modulated']:
    3456                 atomData.insert(indx,[Name,El,'',x,y,z,1,0.,0.,0.,Sytsym,Mult,0,'I',0.01,0,0,0,0,0,0,atId,[],[],
     3456                atomData.insert(indx,[Name,El,'',x,y,z,1.,0.,0.,0.,Sytsym,Mult,0,'I',0.01,0,0,0,0,0,0,atId,[],[],
    34573457                    {'SS1':{'waveType':'Fourier','Sfrac':[],'Spos':[],'Sadp':[],'Smag':[]}}])
    34583458            else:
    3459                 atomData.insert(indx,[Name,El,'',x,y,z,1,0.,0.,0.,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId])
     3459                atomData.insert(indx,[Name,El,'',x,y,z,1.,0.,0.,0.,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId])
    34603460        data['Drawing']['Atoms'] = []
    34613461        UpdateDrawAtoms()
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