xListPairs

 zListPairs lists pair data in columns

0001 % zListPairs lists pair data in columns
0002 
0003 function [void] = zListPairs(Pair,VP)
0004 
0005 if ~isfield(VP,'ListItems')
0006   ListItems = [1 22 2 3 4 5 6 9 10 11 12 13 14 16 17 18];
0007 else
0008   ListItems = VP.ListItems;
0009 end
0010 
0011 Header = ['    '];
0012 for i = 1:length(ListItems),
0013   switch abs(ListItems(i)),
0014     case  1, Header = [Header '   Filename'];
0015     case  2, Header = [Header '  Nucl1'];
0016     case  3, Header = [Header '  Nucl2'];
0017     case  4, Header = [Header '  Disp1'];
0018     case  5, Header = [Header '  Disp2'];
0019     case  6, Header = [Header '  Disp3'];
0020     case  7, Header = [Header '  Norm1'];
0021     case  8, Header = [Header '  Norm2'];
0022     case  9, Header = [Header '  Norm3'];
0023     case 10, Header = [Header '   Ang'];
0024     case 11, Header = [Header ' C1*-C1*'];
0025     case 12, Header = [Header '    Gap'];
0026     case 13, Header = [Header ' MinDist'];
0027     case 14, Header = [Header '   Class'];
0028     case 15, Header = [Header '   Hand'];
0029     case 16, Header = [Header ' N.Exem'];
0030     case 17, Header = [Header '  EDist'];
0031     case 18, Header = [Header ' Hydrogen angles'];
0032     case 19, Header = [Header ' Overlap'];
0033     case 21, Header = [Header 'PairDisc'];
0034     case 22, Header = [Header ' Resol'];
0035   end
0036 end
0037 
0038 Text{1} = Header;
0039 
0040 for k=1:length(Pair)
0041   p  = Pair(k);                 % Current pair
0042   n1 = p.NT1;
0043   n2 = p.NT2;
0044 
0045   Text{k+1} = '';
0046 
0047   Text{k+1} = [Text{k+1} sprintf('%3d', k)];                  % Pair number
0048   for i = 1:length(ListItems),
0049     switch abs(ListItems(i)),
0050         case  1, Text{k+1} = [Text{k+1} sprintf('%12s',p.Filename)];
0051         case  2, Text{k+1} = [Text{k+1} sprintf('%2s %4s',n1.Base, n1.Number)];
0052         case  3, Text{k+1} = [Text{k+1} sprintf('%2s %4s',n2.Base, n2.Number)];
0053         case  4, Text{k+1} = [Text{k+1} sprintf('%7.2f',p.Displ(1))];
0054         case  5, Text{k+1} = [Text{k+1} sprintf('%7.2f',p.Displ(2))];
0055         case  6, Text{k+1} = [Text{k+1} sprintf('%7.2f',p.Displ(3))];
0056         case  7, Text{k+1} = [Text{k+1} sprintf('%7.2f',p.Normal(1))];
0057         case  8, Text{k+1} = [Text{k+1} sprintf('%7.2f',p.Normal(2))];
0058         case  9, Text{k+1} = [Text{k+1} sprintf('%7.2f',p.Normal(3))];
0059         case 10, Text{k+1} = [Text{k+1} sprintf('%6.1f',p.Ang)];
0060         case 11, Text{k+1} = [Text{k+1} sprintf('%8.2f',p.C1pC1p)];
0061         case 12, Text{k+1} = [Text{k+1} sprintf('%7.2f',p.Gap)];
0062         case 13, Text{k+1} = [Text{k+1} sprintf('%8.2f',p.MinDist)];
0063         case 14, Text{k+1} = [Text{k+1} sprintf('%8.2f',p.Class)];
0064         case 16, 
0065           if p.Distances(1) > 999,
0066             Text{k+1} = [Text{k+1} '  None'];
0067           else
0068             Text{k+1} = [Text{k+1} sprintf('%7.2f',p.Classes(1))];
0069           end
0070         case 17, 
0071           if p.Distances(1) > 999,
0072             Text{k+1} = [Text{k+1} '   '];
0073           else
0074             Text{k+1} = [Text{k+1} sprintf('%7.2f',p.Distances(1))];
0075           end
0076         case 18, if length(p.Hydrogen) > 0,
0077                    for i=1:length(p.Hydrogen),
0078                      Text{k+1} = [Text{k+1} sprintf('%6.1f ', p.Hydrogen(i).Angle)];
0079                    end
0080                  else
0081                    Text{k+1} = [Text{k+1} sprintf('                 ')];
0082                  end
0083         case 19, Text{k+1} = [Text{k+1} sprintf('%6.1f',p.StackingOverlap)];
0084         case 22, Text{k+1} = [Text{k+1} sprintf('%6.2f',p.Resol)];
0085     end
0086   end
0087 end
0088 
0089 if isdeployed,
0090   mEditbox(Text,'List of pair parameters',10);
0091 else
0092   for i=1:length(Text),
0093     fprintf('%s\n',Text{i});
0094   end
0095 end
0096 
0097 
0098