Author: bugman
Date: Mon Jan 7 15:26:46 2008
New Revision: 4427
URL: http://svn.gna.org/viewcvs/relax?rev=4427&view=rev
Log:
Removed all of the modules for setting the nucleus type.
This has been shifted into the value.set() user function instead.
Removed:
1.3/generic_fns/nuclei.py
1.3/prompt/nuclei.py
Modified:
1.3/prompt/grace.py
1.3/prompt/interpreter.py
Removed: 1.3/generic_fns/nuclei.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/nuclei.py?rev=4426&view=auto
==============================================================================
--- 1.3/generic_fns/nuclei.py (original)
+++ 1.3/generic_fns/nuclei.py (removed)
@@ -1,93 +1,0 @@
-###############################################################################
-#
#
-# Copyright (C) 2003-2004, 2007 Edward d'Auvergne
#
-#
#
-# 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
#
-#
#
-###############################################################################
-
-# Python module imports.
-from re import match
-
-# relax module imports.
-from data import Data as relax_data_store
-from relax_errors import RelaxInvalidError
-
-
-# The relax data storage object.
-
-
-
-class Nuclei:
- def __init__(self, relax):
- """Class containing the function to set the gyromagnetic ratio of
the heteronucleus."""
-
- self.relax = relax
-
-
- def find_nucleus(self):
- """Function for finding the nucleus corresponding to
'relax_data_store.gx'."""
-
- # Not set.
- if not hasattr(relax_data_store, 'gx'):
- return
-
- # Nitrogen.
- if relax_data_store.gx == self.gn():
- return 'N'
-
- # Carbon
- if relax_data_store.gx == self.gc():
- return 'C'
-
- # Oxygen.
- if relax_data_store.gx == self.go():
- return 'O'
-
- # Phosphate.
- if relax_data_store.gx == self.gp():
- return 'P'
-
-
- def set_values(self, heteronuc):
- """Function for setting the gyromagnetic ratio of the
heteronucleus."""
-
- # Nitrogen.
- if match('[Nn]', heteronuc):
- relax_data_store.gx = self.gn()
-
- # Carbon
- elif match('[Cc]', heteronuc):
- relax_data_store.gx = self.gc()
-
- # Oxygen.
- elif match('[Oo]', heteronuc):
- relax_data_store.gx = self.go()
-
- # Phosphate.
- elif match('[Pp]', heteronuc):
- relax_data_store.gx = self.gp()
-
- # Incorrect arguement.
- else:
- raise RelaxInvalidError, ('heteronucleus', heteronuc)
-
- # Set the proton gyromagnetic ratio.
- relax_data_store.gh = self.gh()
-
- # Calculate the ratio of the gyromagnetic ratios.
- relax_data_store.g_ratio = relax_data_store.gh / relax_data_store.gx
Modified: 1.3/prompt/grace.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/grace.py?rev=4427&r1=4426&r2=4427&view=diff
==============================================================================
--- 1.3/prompt/grace.py (original)
+++ 1.3/prompt/grace.py Mon Jan 7 15:26:46 2008
@@ -26,7 +26,7 @@
from doc_string import regexp_doc
import help
-from generic_fns.minimise import Minimise
+from generic_fns import minimise
from specific_fns.model_free import Model_free
from specific_fns.jw_mapping import Jw_mapping
from specific_fns.noe import Noe
@@ -260,7 +260,7 @@
# Write function.
write.__doc__ = write.__doc__ + "\n\n" + regexp_doc() + "\n"
- write.__doc__ = write.__doc__ + Minimise.return_data_name.__doc__ +
"\n\n"
+ write.__doc__ = write.__doc__ + minimise.return_data_name.__doc__ +
"\n\n"
write.__doc__ = write.__doc__ + Noe.return_data_name.__doc__ + "\n"
write.__doc__ = write.__doc__ + Relax_fit.return_data_name.__doc__ + "\n"
write.__doc__ = write.__doc__ + Jw_mapping.return_data_name.__doc__ +
"\n\n"
Modified: 1.3/prompt/interpreter.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/interpreter.py?rev=4427&r1=4426&r2=4427&view=diff
==============================================================================
--- 1.3/prompt/interpreter.py (original)
+++ 1.3/prompt/interpreter.py Mon Jan 7 15:26:46 2008
@@ -48,7 +48,6 @@
from reset import Reset
from minimisation import Minimisation
from model_selection import Modsel
-from nuclei import Nuclei
# User classes.
from dasha import Dasha
@@ -106,7 +105,6 @@
self._Reset = Reset(relax)
self._Minimisation = Minimisation(relax)
self._Modsel = Modsel(relax)
- self._Nuclei = Nuclei(relax)
self._OpenDX = OpenDX(relax)
self._system = system
@@ -169,7 +167,6 @@
reset = self._Reset.reset
minimise = self._Minimisation.minimise
model_selection = self._Modsel.model_selection
- nuclei = self._Nuclei.nuclei
# Place the user classes in the local namespace.
dasha = self._Dasha
Removed: 1.3/prompt/nuclei.py
URL: http://svn.gna.org/viewcvs/relax/1.3/prompt/nuclei.py?rev=4426&view=auto
==============================================================================
--- 1.3/prompt/nuclei.py (original)
+++ 1.3/prompt/nuclei.py (removed)
@@ -1,64 +1,0 @@
-###############################################################################
-#
#
-# Copyright (C) 2003-2005 Edward d'Auvergne
#
-#
#
-# 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
#
-#
#
-###############################################################################
-
-import sys
-
-from relax_errors import RelaxStrError
-
-
-class Nuclei:
- def __init__(self, relax):
- """Class containing the function for setting the gyromagnetic ratio
of the heteronucleus."""
-
- self.relax = relax
-
-
- def nuclei(self, heteronuc='N'):
- """Function for setting the gyromagnetic ratio of the heteronucleus.
-
- Keyword arguments
- ~~~~~~~~~~~~~~~~~
-
- heteronuc: The type of heteronucleus.
-
-
- Description
- ~~~~~~~~~~~
-
- The heteronuc argument can be set to the following strings:
-
- N: Nitrogen, -2.7126e7
- C: Carbon, 2.2e7
- """
-
- # Function intro text.
- if self.relax.interpreter.intro:
- text = sys.ps3 + "nuclei("
- text = text + "heteronuc=" + `heteronuc` + ")"
- print text
-
- # The heteronucleus argument.
- if type(heteronuc) != str:
- raise RelaxStrError, ('heteronucleus', heteronuc)
-
- # Execute the functional code.
- self.relax.generic.nuclei.set_values(heteronuc=heteronuc)
r4427 - in /1.3: generic_fns/nuclei.py prompt/grace.py prompt/interpreter.py prompt/nuclei.py