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)
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)
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
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
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()
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()
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()
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()