Changeset 4594 for trunk/GSASIIrestrGUI.py
- Timestamp:
- Oct 14, 2020 2:56:09 PM (2 years ago)
- File:
-
- 1 edited
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trunk/GSASIIrestrGUI.py
r4426 r4594 961 961 mainSizer = wx.BoxSizer(wx.VERTICAL) 962 962 mainSizer.Add((5,5),0) 963 mainSizer.Add(WtBox(BondRestr,bondRestData),0 ,WACV)963 mainSizer.Add(WtBox(BondRestr,bondRestData),0) 964 964 965 965 bondList = bondRestData['Bonds'] … … 1025 1025 mainSizer.Add(wx.StaticText(BondRestr,-1, 1026 1026 'Bond restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1027 %(chisq,chisq/len(bondList))),0 ,WACV)1027 %(chisq,chisq/len(bondList))),0) 1028 1028 Bonds.SetScrollRate(10,10) 1029 1029 Bonds.SetMinSize((-1,300)) … … 1093 1093 mainSizer = wx.BoxSizer(wx.VERTICAL) 1094 1094 mainSizer.Add((5,5),0) 1095 mainSizer.Add(WtBox(AngleRestr,angleRestData),0 ,WACV)1095 mainSizer.Add(WtBox(AngleRestr,angleRestData),0) 1096 1096 1097 1097 angleList = angleRestData['Angles'] … … 1157 1157 mainSizer.Add(wx.StaticText(AngleRestr,-1, 1158 1158 'Angle restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1159 %(chisq,chisq/len(angleList))),0 ,WACV)1159 %(chisq,chisq/len(angleList))),0) 1160 1160 Angles.SetScrollRate(10,10) 1161 1161 Angles.SetMinSize((-1,300)) … … 1215 1215 mainSizer = wx.BoxSizer(wx.VERTICAL) 1216 1216 mainSizer.Add((5,5),0) 1217 mainSizer.Add(WtBox(PlaneRestr,planeRestData),0 ,WACV)1217 mainSizer.Add(WtBox(PlaneRestr,planeRestData),0) 1218 1218 1219 1219 planeList = planeRestData['Planes'] … … 1284 1284 mainSizer.Add(wx.StaticText(PlaneRestr,-1, 1285 1285 'Plane restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1286 %(chisq,chisq/len(planeList))),0 ,WACV)1286 %(chisq,chisq/len(planeList))),0) 1287 1287 Planes.SetScrollRate(10,10) 1288 1288 Planes.SetMinSize((-1,300)) … … 1351 1351 mainSizer = wx.BoxSizer(wx.VERTICAL) 1352 1352 mainSizer.Add((5,5),0) 1353 mainSizer.Add(WtBox(ChiralRestr,chiralRestData),0 ,WACV)1353 mainSizer.Add(WtBox(ChiralRestr,chiralRestData),0) 1354 1354 1355 1355 volumeList = chiralRestData['Volumes'] … … 1414 1414 mainSizer.Add(wx.StaticText(ChiralRestr,-1, 1415 1415 'Chiral volume restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1416 %(chisq,chisq/len(volumeList))),0 ,WACV)1416 %(chisq,chisq/len(volumeList))),0) 1417 1417 Volumes.SetScrollRate(10,10) 1418 1418 Volumes.SetMinSize((-1,300)) … … 1487 1487 mainSizer = wx.BoxSizer(wx.VERTICAL) 1488 1488 mainSizer.Add((5,5),0) 1489 mainSizer.Add(WtBox(TorsionRestr,torsionRestData),0 ,WACV)1489 mainSizer.Add(WtBox(TorsionRestr,torsionRestData),0) 1490 1490 1491 1491 coeffDict = torsionRestData['Coeff'] … … 1493 1493 if len(coeffDict): 1494 1494 mainSizer.Add((5,5)) 1495 mainSizer.Add(wx.StaticText(TorsionRestr,-1,'Torsion function coefficients:'),0 ,WACV)1495 mainSizer.Add(wx.StaticText(TorsionRestr,-1,'Torsion function coefficients:'),0) 1496 1496 mainSizer.Add(coeffSizer(),1,wx.EXPAND,1) 1497 1497 1498 1498 if len(torsionList): 1499 mainSizer.Add(wx.StaticText(TorsionRestr,-1,'Torsion restraints:'),0 ,WACV)1499 mainSizer.Add(wx.StaticText(TorsionRestr,-1,'Torsion restraints:'),0) 1500 1500 table = [] 1501 1501 rowLabels = [] … … 1541 1541 mainSizer.Add(wx.StaticText(TorsionRestr,-1, 1542 1542 'Torsion restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1543 %(chisq,chisq/len(torsionList))),0 ,WACV)1543 %(chisq,chisq/len(torsionList))),0) 1544 1544 TorsionRestr.Torsions.SetScrollRate(10,10) 1545 1545 TorsionRestr.Torsions.SetMinSize((-1,300)) … … 1614 1614 mainSizer = wx.BoxSizer(wx.VERTICAL) 1615 1615 mainSizer.Add((5,5),0) 1616 mainSizer.Add(WtBox(RamaRestr,ramaRestData),0 ,WACV)1616 mainSizer.Add(WtBox(RamaRestr,ramaRestData),0) 1617 1617 ramaList = ramaRestData['Ramas'] 1618 1618 coeffDict = ramaRestData['Coeff'] 1619 1619 if len(coeffDict): 1620 mainSizer.Add(wx.StaticText(RamaRestr,-1,'Ramachandran function coefficients:'),0 ,WACV)1620 mainSizer.Add(wx.StaticText(RamaRestr,-1,'Ramachandran function coefficients:'),0) 1621 1621 mainSizer.Add(coeffSizer(),1,wx.EXPAND,1) 1622 1622 1623 1623 if len(ramaList): 1624 mainSizer.Add(wx.StaticText(RamaRestr,-1,'Ramachandran restraints:'),0 ,WACV)1624 mainSizer.Add(wx.StaticText(RamaRestr,-1,'Ramachandran restraints:'),0) 1625 1625 table = [] 1626 1626 rowLabels = [] … … 1667 1667 mainSizer.Add(wx.StaticText(RamaRestr,-1, 1668 1668 'Ramachandran restraints: sum(wt*(delt/sig)^2) = %.2f, mean(wt*(delt/sig)^2) = %.2f' \ 1669 %(chisq,chisq/len(ramaList))),0 ,WACV)1669 %(chisq,chisq/len(ramaList))),0) 1670 1670 RamaRestr.Ramas.SetScrollRate(10,10) 1671 1671 RamaRestr.Ramas.SetMinSize((-1,300)) … … 1734 1734 mainSizer = wx.BoxSizer(wx.VERTICAL) 1735 1735 mainSizer.Add((5,5),0) 1736 mainSizer.Add(WtBox(ChemCompRestr,chemcompRestData),0 ,WACV)1736 mainSizer.Add(WtBox(ChemCompRestr,chemcompRestData),0) 1737 1737 mainSizer.Add(wx.StaticText(ChemCompRestr,-1, 1738 'NB: The chemical restraint sum is over the unit cell contents'),0 ,WACV)1738 'NB: The chemical restraint sum is over the unit cell contents'),0) 1739 1739 mainSizer.Add((5,5),0) 1740 1740 … … 1842 1842 mainSizer = wx.BoxSizer(wx.VERTICAL) 1843 1843 mainSizer.Add((5,5),0) 1844 mainSizer.Add(WtBox(TextureRestr,textureRestData),0 ,WACV)1844 mainSizer.Add(WtBox(TextureRestr,textureRestData),0) 1845 1845 mainSizer.Add(wx.StaticText(TextureRestr,-1, 1846 1846 'NB: The texture restraints suppress negative pole figure values for the selected HKLs\n' 1847 ' "unit esd" gives a bias toward a flatter polefigure'),0 ,WACV)1847 ' "unit esd" gives a bias toward a flatter polefigure'),0) 1848 1848 mainSizer.Add((5,5),0) 1849 1849
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