Source Code for Module gui.user_functions.noe

  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 noe user function GUI elements.""" 
 25   
 26  # Python module imports. 
 27  from os import sep 
 28  from string import split 
 29  import wx 
 30   
 31  # relax module imports. 
 32  from generic_fns import pipes 
 33   
 34  # GUI module imports. 
 35  from base import UF_base, UF_page 
 36  from gui.paths import ANALYSIS_IMAGE_PATH 
 37  from gui.misc import gui_to_float, gui_to_int, gui_to_str, str_to_gui 
 38   
 39   
 40  # The container class. 
 41 -class Noe(UF_base): 
 42      """The container class for holding all GUI elements.""" 
 43   
 44 -    def read_restraints(self): 
 45          """The noe.read_restraints user function.""" 
 46   
 47          # Execute the wizard. 
 48          wizard = self.create_wizard(size_x=800, size_y=600, name='noe.read_restraints', uf_page=Read_restraints_page) 
 49          wizard.run() 
 50   
 51   
 52 -    def spectrum_type(self): 
 53          """The noe.spectrum_type user function.""" 
 54   
 55          # Execute the wizard. 
 56          wizard = self.create_wizard(size_x=800, size_y=600, name='noe.spectrum_type', uf_page=Spectrum_type_page) 
 57          wizard.run() 
 58   
 59   
 60   
 61 -class Read_restraints_page(UF_page): 
 62      """The noe.read_restraints() user function page.""" 
 63   
 64      # Some class variables. 
 65      image_path = ANALYSIS_IMAGE_PATH + 'noe_200x200.png' 
 66      uf_path = ['noe', 'read_restraints'] 
 67   
 68 -    def add_contents(self, sizer): 
 69          """Add the page specific GUI elements. 
 70   
 71          @param sizer:   A sizer object. 
 72          @type sizer:    wx.Sizer instance 
 73          """ 
 74   
 75          # Add a file selection. 
 76          self.file = self.file_selection(sizer, "The restraint file:", message="Restraint file selection", style=wx.FD_OPEN, tooltip=self.uf._doc_args_dict['file']) 
 77   
 78          # The columns. 
 79          self.proton1_col = self.input_field(sizer, "The 1st proton column:", tooltip=self.uf._doc_args_dict['proton1_col']) 
 80          self.proton2_col = self.input_field(sizer, "The 2nd proton column:", tooltip=self.uf._doc_args_dict['proton2_col']) 
 81          self.lower_col = self.input_field(sizer, "The lower bound column:", tooltip=self.uf._doc_args_dict['lower_col']) 
 82          self.upper_col = self.input_field(sizer, "The upper bound column:", tooltip=self.uf._doc_args_dict['upper_col']) 
 83   
 84          # The column separator. 
 85          self.sep = self.combo_box(sizer, "Column separator:", ["white space", ",", ";", ":", ""], read_only=False) 
 86   
 87          # Spacing. 
 88          sizer.AddStretchSpacer() 
 89   
 90   
 91 -    def on_execute(self): 
 92          """Execute the user function.""" 
 93   
 94          # The file name. 
 95          file = gui_to_str(self.file.GetValue()) 
 96   
 97          # No file. 
 98          if not file: 
 99              return 
100   
101          # Get the column numbers. 
102          proton1_col =   gui_to_int(self.proton1_col.GetValue()) 
103          proton2_col =   gui_to_int(self.proton2_col.GetValue()) 
104          lower_col =     gui_to_int(self.lower_col.GetValue()) 
105          upper_col =     gui_to_int(self.upper_col.GetValue()) 
106   
107          # The column separator. 
108          sep = str(self.sep.GetValue()) 
109          if sep == 'white space': 
110              sep = None 
111   
112          # Read the NOESY data. 
113          self.execute('noe.read_restraints', file=file, proton1_col=proton1_col, proton2_col=proton2_col, lower_col=lower_col, upper_col=upper_col, sep=sep) 
114   
115   
116   
117 -class Spectrum_type_page(UF_page): 
118      """The noe.spectrum_type() user function page.""" 
119   
120      # Some class variables. 
121      image_path = ANALYSIS_IMAGE_PATH + 'noe_200x200.png' 
122      uf_path = ['noe', 'spectrum_type'] 
123   
124 -    def add_contents(self, sizer): 
125          """Add the page specific GUI elements. 
126   
127          @param sizer:   A sizer object. 
128          @type sizer:    wx.Sizer instance 
129          """ 
130   
131          # The spectrum type. 
132          self.spectrum_type = self.combo_box(sizer, "The spectrum type:", tooltip=self.uf._doc_args_dict['spectrum_type'], choices=['Saturated spectrum', 'Reference spectrum']) 
133          self.spectrum_type.SetClientData(0, 'sat') 
134          self.spectrum_type.SetClientData(1, 'ref') 
135   
136          # The spectrum ID. 
137          self.spectrum_id = self.combo_box(sizer, "The spectrum ID:", tooltip=self.uf._doc_args_dict['spectrum_id']) 
138   
139          # Spacing. 
140          sizer.AddStretchSpacer() 
141   
142   
143 -    def on_execute(self): 
144          """Execute the user function.""" 
145   
146          # The values. 
147          spectrum_type = gui_to_str(self.spectrum_type.GetClientData(self.spectrum_type.GetSelection())) 
148   
149          # The spectrum ID. 
150          spectrum_id = gui_to_str(self.spectrum_id.GetValue()) 
151   
152          # Read the relaxation data. 
153          self.execute('noe.spectrum_type', spectrum_type=spectrum_type, spectrum_id=spectrum_id) 
154   
155   
156 -    def on_display(self): 
157          """Clear previous data and update the spectrum ID list.""" 
158   
159          # Clear the previous data. 
160          self.spectrum_id.Clear() 
161   
162          # No data, so don't try to fill the combo box. 
163          if not hasattr(cdp, 'spectrum_ids'): 
164              return 
165   
166          # The spectrum IDs. 
167          for i in range(len(cdp.spectrum_ids)): 
168              self.spectrum_id.Append(str_to_gui(cdp.spectrum_ids[i])) 
169