Changeset 1939
- Timestamp:
- Jul 21, 2015 10:11:25 AM (8 years ago)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIphsGUI.py
r1938 r1939 1592 1592 Neigh.append(neigh) 1593 1593 if Neigh: 1594 letters = ['A','B','C'] 1594 1595 HydIds = {} 1595 1596 mapError = False … … 1607 1608 Hxyz,HU = G2mth.AddHydrogens(AtLookUp,generalData,atomData,AddHydIds[ineigh]) 1608 1609 for iX,X in enumerate(Hxyz): 1609 AtomInsert(loc+iX,X[0],X[1],X[2],'H','H (%d)'%(Nat))1610 AtomInsert(loc+iX,X[0],X[1],X[2],'H','H%s'%(neigh[0][1:]+letters[iX])) 1610 1611 data['Atoms'][loc+iX][cia+1] = HU[iX] 1611 1612 Id = data['Atoms'][loc+iX][cia+8] … … 1613 1614 Nat += 1 1614 1615 AtLookUp = G2mth.FillAtomLookUp(atomData,cia+8) 1615 print Id,HydIds[Id]1616 1616 if mapError: 1617 1617 G2frame.ErrorDialog('Add H atom error','Adding O-H atoms requires delt-F map') … … 1805 1805 atomData[r][cid] = El 1806 1806 if len(El) in [2,4]: 1807 atomData[r][cid-1] = El[:2]+' (%d)'%(r+1)1807 atomData[r][cid-1] = El[:2]+'%d'%(r+1) 1808 1808 else: 1809 atomData[r][cid-1] = El[:1]+' (%d)'%(r+1)1809 atomData[r][cid-1] = El[:1]+'%d'%(r+1) 1810 1810 SetupGeneral() 1811 1811 if 'Atoms' in data['Drawing']: … … 1825 1825 El = atomData[r][cid+1] 1826 1826 if len(El) in [2,4]: 1827 atomData[r][cid] = El[:2]+' (%d)'%(r+1)1827 atomData[r][cid] = El[:2]+'%d'%(r+1) 1828 1828 else: 1829 atomData[r][cid] = El[:1]+' (%d)'%(r+1)1829 atomData[r][cid] = El[:1]+'%d'%(r+1) 1830 1830 FillAtomsGrid(Atoms) 1831 1831 finally:
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