r8973 - /branches/bmrb/bmrblib/kinetics/relaxation.py -- March 12, 2009 - 17:25

Author: bugman
Date: Thu Mar 12 17:25:11 2009
New Revision: 8973

URL: http://svn.gna.org/viewcvs/relax?rev=8973&view=rev
Log:
Added a new module for abstracting the relaxation data part of the BMRB API.

This should automatically handle the change from heteronucl_NOEs, 
heteronucl_T1_relaxation, and
heteronucl_T2_relaxation to the general_relaxation saveframe.


Added:
    branches/bmrb/bmrblib/kinetics/relaxation.py

Added: branches/bmrb/bmrblib/kinetics/relaxation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/bmrblib/kinetics/relaxation.py?rev=8973&view=auto
==============================================================================
--- branches/bmrb/bmrblib/kinetics/relaxation.py (added)
+++ branches/bmrb/bmrblib/kinetics/relaxation.py Thu Mar 12 17:25:11 2009
@@ -1,0 +1,90 @@
+###############################################################################
+#                                                                            
 #
+# Copyright (C) 2009 Edward d'Auvergne                                       
 #
+#                                                                            
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+# This file is part of the program relax.                                    
 #
+#                                                                            
 #
+# relax is free software; you can redistribute it and/or modify              
 #
+# it under the terms of the GNU General Public License as published by       
 #
+# the Free Software Foundation; either version 2 of the License, or          
 #
+# (at your option) any later version.                                        
 #
+#                                                                            
 #
+# relax is distributed in the hope that it will be useful,                   
 #
+# but WITHOUT ANY WARRANTY; without even the implied warranty of             
 #
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the              
 #
+# GNU General Public License for more details.                               
 #
+#                                                                            
 #
+# You should have received a copy of the GNU General Public License          
 #
+# along with relax; if not, write to the Free Software                       
 #
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA  
 #
+#                                                                            
 #
+###############################################################################
+
+# Module docstring.
+"""The relaxation data BMRB API interface."""
+
+
+# relax module imports.
+from bmrblib.kinetics.general_relaxation import GeneralRelaxationSaveframe
+from bmrblib.kinetics.heteronucl_NOEs import HeteronuclNOESaveframe
+from bmrblib.kinetics.heteronucl_NOEs_v3_1 import HeteronuclNOESaveframe_v3_1
+from bmrblib.kinetics.heteronucl_T1_relaxation import HeteronuclT1Saveframe
+from bmrblib.kinetics.heteronucl_T1_relaxation_v3_1 import 
HeteronuclT1Saveframe_v3_1
+from bmrblib.kinetics.heteronucl_T2_relaxation import HeteronuclT2Saveframe
+from bmrblib.kinetics.heteronucl_T2_relaxation_v3_1 import 
HeteronuclT2Saveframe_v3_1
+
+
+class Relaxation:
+    """Class for the relaxation data part of the BMRB API."""
+
+    def __init__(self, datanodes):
+        """Initialise the class, placing the pystarlib data nodes into the 
namespace.
+
+        @param datanodes:   The pystarlib data nodes object.
+        @type datanodes:    list
+        """
+
+        # Place the data nodes into the namespace.
+        self.__datanodes = datanodes
+
+        # Initialise the kinetic saveframe supergroups.
+        self.__heteronucl_NOEs = HeteronuclNOESaveframe(self.datanodes)
+        self.__heteronucl_T1_relaxation = 
HeteronuclT1Saveframe(self.datanodes)
+        self.__heteronucl_T2_relaxation = 
HeteronuclT2Saveframe(self.datanodes)
+
+
+class Relaxation_v3_0(Relaxation):
+    """Class for the relaxation data part of the BMRB API (v3.0)."""
+
+    def __init__(self, datanodes):
+        """Initialise the class, placing the pystarlib data nodes into the 
namespace.
+
+        @param datanodes:   The pystarlib data nodes object.
+        @type datanodes:    list
+        """
+
+        # Place the data nodes into the namespace.
+        self.__datanodes = datanodes
+
+        # Initialise the kinetic saveframe supergroups.
+        self.__heteronucl_NOEs = HeteronuclNOESaveframe_v3_0(self.datanodes)
+        self.__heteronucl_T1_relaxation = 
HeteronuclT1Saveframe_v3_0(self.datanodes)
+        self.__heteronucl_T2_relaxation = 
HeteronuclT2Saveframe_v3_0(self.datanodes)
+
+
+
+class Relaxation_v3_1(Relaxation_v3_0):
+    """Class for the relaxation data part of the BMRB API (v3.1)."""
+
+    def __init__(self, datanodes):
+        """Initialise the class, placing the pystarlib data nodes into the 
namespace.
+
+        @param datanodes:   The pystarlib data nodes object.
+        @type datanodes:    list
+        """
+
+        # Place the data nodes into the namespace.
+        self.__datanodes = datanodes
+
+        # Initialise the kinetic saveframe supergroups.
+        self.__general_relaxation = 
GeneralRelaxationSaveframe(self.datanodes)