Exemplo n.º 1
0
 def OnOpen (self, event) :
   from wxtbx import path_dialogs
   file_name = path_dialogs.manager().select_file(
     parent=self,
     message="Choose an MTZ file to view",
     wildcard="MTZ files (*.mtz)|*.mtz")
   if (file_name is not None) :
     self.SetMtzFile(file_name)
Exemplo n.º 2
0
 def OnOpen(self, event):
     from wxtbx import path_dialogs
     file_name = path_dialogs.manager().select_file(
         parent=self,
         message="Choose an MTZ file to view",
         wildcard="MTZ files (*.mtz)|*.mtz")
     if (file_name is not None):
         self.SetMtzFile(file_name)
Exemplo n.º 3
0
 def GetPathManager (self) :
   if (self._pathmgr is None) :
     main_window = self.GetTopLevelParent()
     if hasattr(main_window, "get_path_manager") :
       self._pathmgr = main_window.get_path_manager()
   if (self._pathmgr is None) :
     from wxtbx import path_dialogs
     self._pathmgr = path_dialogs.manager()
   return self._pathmgr
Exemplo n.º 4
0
 def GetPathManager(self):
   if (self._pathmgr is None):
     main_window = self.GetTopLevelParent()
     if hasattr(main_window, "get_path_manager"):
       self._pathmgr = main_window.get_path_manager()
   if (self._pathmgr is None):
     from wxtbx import path_dialogs
     self._pathmgr = path_dialogs.manager()
   return self._pathmgr
Exemplo n.º 5
0
 def OnSave (self, event) :
   filename = path_dialogs.manager().select_file(
     parent=self,
     message='Save statistics as a CSV file',
     wildcard='CSV files (*.csv)|*.csv',
     current_file='statistics.csv',
     save=True)
   if (filename is not None):
     f = open(filename, 'w')
     labels = validation_summary.molprobity_stat_labels
     f.write('Statistic, Model 1, Model 2, ...\n')
     for label in labels:
       i_label = validation_summary.molprobity_stat_labels.index(label)
       stat = self.ensemble.__slots__[i_label]
       values = getattr(self.ensemble, stat)
       if ( (len(values) != 0) and (values.count(None) != len(values)) ):
         f.write('%s, ' % label +
                 ', '.join([str(v) for v in values]) + '\n')
     f.close()
Exemplo n.º 6
0
 def OnSave(self, event=None):
   filename = path_dialogs.manager().select_file(
     parent=self,
     message='Save dihedral angles as a CSV file',
     wildcard='CSV files (*.csv)|*.csv',
     current_file='dihedrals.csv',
     save=True)
   if (filename is not None):
     f = open(filename, 'w')
     id_str = self.chi_angles['id_str']
     dihedrals = self.chi_angles['values']
     for i in xrange(5):
       f.write('Chi %i\n' % (i+1))
       f.write('Residue, Model 1, Model 2, ...\n')
       for j in xrange(len(id_str)):
         if (i < len(dihedrals[j])):
           f.write('%s, ' % id_str[j] +
                   ', '.join([str(d) for d in dihedrals[j][i]]) + '\n')
       f.write('\n\n')
     f.close()
Exemplo n.º 7
0
 def OnSave(self, event=None):
     filename = path_dialogs.manager().select_file(
         parent=self,
         message='Save dihedral angles as a CSV file',
         wildcard='CSV files (*.csv)|*.csv',
         current_file='dihedrals.csv',
         save=True)
     if (filename is not None):
         f = open(filename, 'w')
         id_str = self.chi_angles['id_str']
         dihedrals = self.chi_angles['values']
         for i in range(5):
             f.write('Chi %i\n' % (i + 1))
             f.write('Residue, Model 1, Model 2, ...\n')
             for j in range(len(id_str)):
                 if (i < len(dihedrals[j])):
                     f.write('%s, ' % id_str[j] +
                             ', '.join([str(d)
                                        for d in dihedrals[j][i]]) + '\n')
             f.write('\n\n')
         f.close()
Exemplo n.º 8
0
 def OnSave(self, event):
     filename = path_dialogs.manager().select_file(
         parent=self,
         message='Save statistics as a CSV file',
         wildcard='CSV files (*.csv)|*.csv',
         current_file='statistics.csv',
         save=True)
     if (filename is not None):
         f = open(filename, 'w')
         labels = validation_summary.molprobity_stat_labels
         f.write('Statistic, Model 1, Model 2, ...\n')
         for label in labels:
             i_label = validation_summary.molprobity_stat_labels.index(
                 label)
             stat = self.ensemble.__slots__[i_label]
             values = getattr(self.ensemble, stat)
             if ((len(values) != 0)
                     and (values.count(None) != len(values))):
                 f.write('%s, ' % label +
                         ', '.join([str(v) for v in values]) + '\n')
         f.close()