Author: bugman Date: Wed Mar 2 11:15:48 2011 New Revision: 12697 URL: http://svn.gna.org/viewcvs/relax?rev=12697&view=rev Log: Updated temp_calibration_setup() for the new relax data ID string design. Modified: branches/relax_data/data/exp_info.py Modified: branches/relax_data/data/exp_info.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_data/data/exp_info.py?rev=12697&r1=12696&r2=12697&view=diff ============================================================================== --- branches/relax_data/data/exp_info.py (original) +++ branches/relax_data/data/exp_info.py Wed Mar 2 11:15:48 2011 @@ -190,7 +190,7 @@ """Store the peak intensity type. @param ri_id: The relaxation data ID string. - @type ri_label: str + @type ri_id: str @param type: The peak intensity type, one of 'height' or 'volume'. @type type: str """ @@ -204,7 +204,7 @@ if ri_id in self.peak_intensity_type.keys(): raise RelaxError("The peak intensity type for the '%s' relaxation data ID string has already been set.") - # Append the container. + # Set the type. self.peak_intensity_type[ri_id] = type @@ -330,13 +330,11 @@ self.software.append(software) - def temp_calibration_setup(self, ri_label, frq_label, method): + def temp_calibration_setup(self, ri_id, method): """Store the temperature calibration method. - @param ri_label: The relaxation data type, ie 'R1', 'R2', or 'NOE'. - @type ri_label: str - @param frq_label: The field strength label. - @type frq_label: str + @param ri_id: The relaxation data ID string. + @type ri_id: str @param method: The temperature calibration method. @type method: str """ @@ -344,35 +342,14 @@ # Initialise the container if needed. if not hasattr(self, "temp_calibration"): # The list. - self.temp_calibration = RelaxListType() - - # The name of the container. - self.temp_calibration.container_name = "temp_calibration_list" - - # The description of the container. - self.temp_calibration.container_desc = "List of temperature calibration methods." + self.temp_calibration = {} # Find if the method has already been set. - for i in range(len(self.temp_calibration)): - if self.temp_calibration[i].ri_label == ri_label and self.temp_calibration[i].frq_label == frq_label: - raise RelaxError("The temperature calibration method for the '%s' ri_label and '%s' frq_label has already been set.") - - # Init the container. - temp_calibration = Element() - - # The name of the container. - temp_calibration.name = "temp_calibration" - - # The description of the container. - temp_calibration.desc = "Temperature calibration methods for the relaxation data." - - # Set the attributes. - temp_calibration.ri_label = ri_label - temp_calibration.frq_label = frq_label - temp_calibration.method = method - - # Append the container. - self.temp_calibration.append(temp_calibration) + if ri_id in self.temp_calibration.keys(): + raise RelaxError("The temperature calibration method for the '%s' relaxation data ID string has already been set.") + + # Set the method. + self.temp_calibration[ri_id] = temp_calibration def temp_control_setup(self, ri_label, frq_label, method):