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working on project gen
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GSASII/GSASIIpwdGUI.py

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Original file line numberDiff line numberDiff line change
@@ -5477,6 +5477,20 @@ def _get_opt_val(opt_name, out):
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r'<OPTION VALUE="([^"]+)">([^<]+)</OPTION>',str_tmp
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)
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G2frame.OnFileSave(None)
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orgFilName = G2frame.GSASprojectfile
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phsnam = phase_sel
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resId = G2gd.GetGPXtreeItemId(G2frame, G2frame.root, 'Restraints')
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Restraints = G2frame.GPXtree.GetItemPyData(resId)
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resId = G2gd.GetGPXtreeItemId(G2frame, resId, phsnam)
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orgData = copy.deepcopy(data)
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if Restraints:
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Restraints[phsnam]['Bond']['Bonds'] = []
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Restraints[phsnam]['Angle']['Angles'] = []
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savedRestraints = Restraints[phsnam]
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del Restraints[phsnam]
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for ir_opt, _ in ir_options:
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print("Processing irrep:", ir_opt)
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data["input"] = "irrep"

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