gui.user_functions.grace

1 ############################################################################### 2 # # 3 # Copyright (C) 2011 Edward d'Auvergne # 4 # # 5 # This file is part of the program relax. # 6 # # 7 # relax is free software; you can redistribute it and/or modify # 8 # it under the terms of the GNU General Public License as published by # 9 # the Free Software Foundation; either version 2 of the License, or # 10 # (at your option) any later version. # 11 # # 12 # relax is distributed in the hope that it will be useful, # 13 # but WITHOUT ANY WARRANTY; without even the implied warranty of # 14 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # 15 # GNU General Public License for more details. # 16 # # 17 # You should have received a copy of the GNU General Public License # 18 # along with relax; if not, write to the Free Software # 19 # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA # 20 # # 21 ############################################################################### 22 23 # Module docstring. 24 """The value user function GUI elements.""" 25 26 # Python module imports. 27 import wx 28 29 # relax module imports. 30 from relax_errors import RelaxImplementError, RelaxNoPipeError 31 import specific_fns 32 33 # GUI module imports. 34 from base import UF_base, UF_page 35 from gui.errors import gui_raise 36 from gui.misc import gui_to_bool, gui_to_str, str_to_gui 37 from gui.paths import WIZARD_IMAGE_PATH 38 39 40 # The container class.

41 -class Grace(UF_base):

42 """The container class for holding all GUI elements.""" 43

44 - def view(self, file=None):

45 """The grace.view user function. 46 47 @keyword file: The file to start the user function with. 48 @type file: str 49 """ 50 51 # Create the wizard. 52 wizard, page = self.create_wizard(size_x=900, size_y=500, name='grace.view', uf_page=View_page, return_page=True) 53 54 # Default file name. 55 if file: 56 page.file.SetValue(str_to_gui(file)) 57 58 # Execute the wizard. 59 wizard.run()

60 61

62 - def write(self, file=None):

63 """The grace.write user function. 64 65 @keyword file: The file to start the user function with. 66 @type file: str 67 """ 68 69 # Create the wizard. 70 wizard, page = self.create_wizard(size_x=1000, size_y=700, name='grace.write', uf_page=Write_page, return_page=True) 71 72 # Default file name. 73 if file: 74 page.file.SetValue(str_to_gui(file)) 75 76 # Execute the wizard. 77 wizard.run()

78 79 80

81 -class View_page(UF_page):

82 """The grace.view() user function page.""" 83 84 # Some class variables. 85 image_path = WIZARD_IMAGE_PATH + 'grace.png' 86 uf_path = ['grace', 'view'] 87

88 - def add_contents(self, sizer):

89 """Add the specific GUI elements. 90 91 @param sizer: A sizer object. 92 @type sizer: wx.Sizer instance 93 """ 94 95 # Add a file selection. 96 self.file = self.file_selection(sizer, "The Grace file:", message="Grace file selection", wildcard="Grace files (*.agr)|*.agr", style=wx.FD_OPEN, tooltip=self.uf._doc_args_dict['file']) 97 98 # The Grace exec file. 99 self.grace_exe = self.file_selection(sizer, "The Grace executable:", message="Grace executable file selection", style=wx.FD_OPEN, tooltip=self.uf._doc_args_dict['grace_exe']) 100 self.grace_exe.SetValue(str_to_gui('xmgrace'))

101 102

103 - def on_execute(self):

104 """Execute the user function.""" 105 106 # The file name. 107 file = gui_to_str(self.file.GetValue()) 108 109 # The executable. 110 grace_exe = gui_to_str(self.grace_exe.GetValue()) 111 112 # Open the file. 113 self.execute('grace.view', file=file, dir=None, grace_exe=grace_exe)

114 115 116

117 -class Write_page(UF_page):

118 """The grace.write() user function page.""" 119 120 # Some class variables. 121 image_path = WIZARD_IMAGE_PATH + 'grace.png' 122 uf_path = ['grace', 'write'] 123

124 - def add_contents(self, sizer):

125 """Add the specific GUI elements. 126 127 @param sizer: A sizer object. 128 @type sizer: wx.Sizer instance 129 """ 130 131 # The X-axis data. 132 self.x_data_type = self.combo_box(sizer, "The X-axis data type:", tooltip=self.uf._doc_args_dict['x_data_type']) 133 self.update_parameters(self.x_data_type) 134 135 # Failure. 136 if self.setup_fail: 137 return 138 139 # The Y-axis data. 140 self.y_data_type = self.combo_box(sizer, "The Y-axis data type:", tooltip=self.uf._doc_args_dict['y_data_type']) 141 self.update_parameters(self.y_data_type) 142 143 # The spin ID restriction. 144 self.spin_id = self.spin_id_element(sizer, "Restrict plotting to certain spins:") 145 146 # The plot data. 147 self.plot_data = self.combo_box(sizer, "The plot data:", ['value', 'error', 'sims'], tooltip=self.uf._doc_args_dict['plot_data'], read_only=True) 148 self.plot_data.SetValue(str_to_gui('value')) 149 150 # Data normalisation. 151 self.norm = self.boolean_selector(sizer, "Data normalisation flag:", tooltip=self.uf._doc_args_dict['norm'], default=False) 152 153 # Add a file selection. 154 self.file = self.file_selection(sizer, "The Grace file:", message="Grace file selection", wildcard="Grace files (*.agr)|*.agr", style=wx.FD_SAVE, tooltip=self.uf._doc_args_dict['file']) 155 156 # The force flag. 157 self.force = self.boolean_selector(sizer, "Force flag:", tooltip=self.uf._doc_args_dict['force'])

158 159

160 - def on_execute(self):

161 """Execute the user function.""" 162 163 # The X and Y data types. 164 x_data_type = self.x_data_type.GetClientData(self.x_data_type.GetSelection()) 165 y_data_type = self.y_data_type.GetClientData(self.y_data_type.GetSelection()) 166 167 # Get the values. 168 spin_id = gui_to_str(self.spin_id.GetValue()) 169 plot_data = gui_to_str(self.plot_data.GetValue()) 170 norm = gui_to_bool(self.norm.GetValue()) 171 172 # The file name. 173 file = gui_to_str(self.file.GetValue()) 174 if not file: 175 return 176 177 # Force flag. 178 force = gui_to_bool(self.force.GetValue()) 179 180 # Open the file. 181 self.execute('grace.write', x_data_type=x_data_type, y_data_type=y_data_type, spin_id=spin_id, plot_data=plot_data, file=file, dir=None, force=force, norm=norm)

182 183

184 - def update_parameters(self, combo_box):

185 """Fill out the list of parameters and their descriptions. 186 187 @param combo_box: The combo box element to update. 188 @type combo_box: wx.ComboBox instance 189 """ 190 191 # Check the current data pipe. 192 if cdp == None: 193 gui_raise(RelaxNoPipeError()) 194 self.setup_fail = True 195 return 196 197 # Get the specific functions. 198 data_names = specific_fns.setup.get_specific_fn('data_names', cdp.pipe_type, raise_error=False) 199 self.data_type = specific_fns.setup.get_specific_fn('data_type', cdp.pipe_type, raise_error=False) 200 return_data_desc = specific_fns.setup.get_specific_fn('return_data_desc', cdp.pipe_type, raise_error=False) 201 202 # The data names, if they exist. 203 try: 204 names = data_names(set='params') 205 except RelaxImplementError: 206 gui_raise(RelaxImplementError()) 207 self.setup_fail = True 208 return 209 210 # First clear and then add the sequence data. 211 combo_box.Clear() 212 combo_box.Append(str_to_gui("Spin sequence"), 'spin') 213 214 # Loop over the parameters. 215 for name in (data_names(set='params') + data_names(set='generic')): 216 # Get the description. 217 desc = return_data_desc(name) 218 219 # No description. 220 if not desc: 221 text = name 222 223 # The text. 224 else: 225 text = "'%s': %s" % (name, desc) 226 227 # Append the description. 228 combo_box.Append(str_to_gui(text), name) 229 230 # Default to the sequence. 231 combo_box.SetSelection(0)

232

Source Code for Module gui.user_functions.grace