Source Code for Module gui.user_functions.relax_data

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2010-2011 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 relaxation data user function GUI elements.""" 
 25   
 26  # Python module imports. 
 27  from string import split 
 28  import wx 
 29   
 30  # relax module imports. 
 31  from generic_fns import pipes 
 32   
 33  # GUI module imports. 
 34  from base import UF_base, UF_page 
 35  from gui.paths import WIZARD_IMAGE_PATH 
 36  from gui.misc import gui_to_float, gui_to_int, gui_to_str, str_to_gui 
 37   
 38   
 39  # The container class. 
 40 -class Relax_data(UF_base): 
 41      """The container class for holding all GUI elements.""" 
 42   
 43 -    def delete(self, ri_id=None): 
 44          """The relax_data.delete user function. 
 45   
 46          @keyword ri_id: The starting relaxation data ID string. 
 47          @type ri_id:    str 
 48          """ 
 49   
 50          # Create the wizard. 
 51          wizard, page = self.create_wizard(size_x=700, size_y=400, name='relax_data.delete', uf_page=Delete_page, return_page=True) 
 52   
 53          # Default ID. 
 54          if ri_id: 
 55              page.ri_id.SetValue(str_to_gui(ri_id)) 
 56   
 57          # Execute the wizard. 
 58          wizard.run() 
 59   
 60   
 61 -    def read(self): 
 62          """The relax_data.read user function.""" 
 63   
 64          # Execute the wizard. 
 65          wizard = self.create_wizard(size_x=1000, size_y=700, name='relax_data.read', uf_page=Read_page) 
 66          wizard.run() 
 67   
 68   
 69   
 70 -class Delete_page(UF_page): 
 71      """The relax_data.read() user function page.""" 
 72   
 73      # Some class variables. 
 74      image_path = WIZARD_IMAGE_PATH + 'fid.png' 
 75      uf_path = ['relax_data', 'delete'] 
 76   
 77 -    def add_contents(self, sizer): 
 78          """Add the relaxation data deletion specific GUI elements. 
 79   
 80          @param sizer:   A sizer object. 
 81          @type sizer:    wx.Sizer instance 
 82          """ 
 83   
 84          # The ID. 
 85          self.ri_id = self.combo_box(sizer, "The relaxation data ID:", tooltip=self.uf._doc_args_dict['ri_id']) 
 86   
 87   
 88 -    def on_execute(self): 
 89          """Execute the user function.""" 
 90   
 91          # The labels and frq. 
 92          ri_id = gui_to_str(self.ri_id.GetValue()) 
 93   
 94          # Read the relaxation data. 
 95          self.execute('relax_data.delete', ri_id=ri_id) 
 96   
 97   
 98 -    def on_display(self): 
 99          """Clear previous data and update the label lists.""" 
100   
101          # Clear the previous data. 
102          self.ri_id.Clear() 
103   
104          # No data, so don't try to fill the combo boxes. 
105          if not hasattr(cdp, 'ri_ids'): 
106              return 
107   
108          # The relaxation data IDs. 
109          for i in range(len(cdp.ri_ids)): 
110              self.ri_id.Append(str_to_gui(cdp.ri_ids[i])) 
111   
112   
113   
114 -class Read_page(UF_page): 
115      """The relax_data.read() user function page.""" 
116   
117      # Some class variables. 
118      height_desc = 140 
119      image_path = WIZARD_IMAGE_PATH + 'fid.png' 
120      uf_path = ['relax_data', 'read'] 
121   
122 -    def add_contents(self, sizer): 
123          """Add the relaxation data reading specific GUI elements. 
124   
125          @param sizer:   A sizer object. 
126          @type sizer:    wx.Sizer instance 
127          """ 
128   
129          # Add a file selection. 
130          self.file = self.file_selection(sizer, "The relaxation data file:", message="Relaxation data file selection", style=wx.FD_OPEN, tooltip=self.uf._doc_args_dict['file']) 
131   
132          # The labels. 
133          self.ri_id = self.input_field(sizer, "The relaxation data ID:", tooltip=self.uf._doc_args_dict['ri_id']) 
134          self.ri_type = self.combo_box(sizer, "The relaxation data type:", choices=['R1', 'R2', 'NOE'], tooltip=self.uf._doc_args_dict['ri_type']) 
135   
136          # The frequency. 
137          self.frq = self.input_field(sizer, "The exact spectrometer frequency in Hz:", tooltip=self.uf._doc_args_dict['frq']) 
138   
139          # The spin ID restriction. 
140          self.spin_id = self.spin_id_element(sizer, desc="Restrict data loading to certain spins:") 
141   
142          # The parameter file settings. 
143          self.free_file_format(sizer, data_cols=True, padding=3, spacer=0) 
144   
145   
146 -    def on_execute(self): 
147          """Execute the user function.""" 
148   
149          # The labels and frq. 
150          ri_id = gui_to_str(self.ri_id.GetValue()) 
151          ri_type = gui_to_str(self.ri_type.GetValue()) 
152          frq = gui_to_float(self.frq.GetValue()) 
153   
154          # The file name. 
155          file = gui_to_str(self.file.GetValue()) 
156   
157          # No file. 
158          if not file: 
159              return 
160   
161          # Get the column numbers. 
162          spin_id_col =   gui_to_int(self.spin_id_col.GetValue()) 
163          mol_name_col =  gui_to_int(self.mol_name_col.GetValue()) 
164          res_num_col =   gui_to_int(self.res_num_col.GetValue()) 
165          res_name_col =  gui_to_int(self.res_name_col.GetValue()) 
166          spin_num_col =  gui_to_int(self.spin_num_col.GetValue()) 
167          spin_name_col = gui_to_int(self.spin_name_col.GetValue()) 
168          data_col =      gui_to_int(self.data_col.GetValue()) 
169          err_col =       gui_to_int(self.err_col.GetValue()) 
170   
171          # The column separator. 
172          sep = str(self.sep.GetValue()) 
173          if sep == 'white space': 
174              sep = None 
175   
176          # The spin ID. 
177          spin_id = gui_to_str(self.spin_id.GetValue()) 
178   
179          # Read the relaxation data. 
180          self.execute('relax_data.read', ri_id=ri_id, ri_type=ri_type, frq=frq, file=file, spin_id_col=spin_id_col, mol_name_col=mol_name_col, res_num_col=res_num_col, res_name_col=res_name_col, spin_num_col=spin_num_col, spin_name_col=spin_name_col, data_col=data_col, error_col=err_col, sep=sep, spin_id=spin_id) 
181