Author: bugman
Date: Tue Feb 17 16:27:20 2015
New Revision: 27661
URL: http://svn.gna.org/viewcvs/relax?rev=27661&view=rev
Log:
Added some error checking for the monte_carlo.setup user function.
A RelaxError is now raised if the number of simulations is less than 3. This
prevents Python errors
when later calling the monte_carlo.error_analysis user function.
Modified:
trunk/pipe_control/error_analysis.py
Modified: trunk/pipe_control/error_analysis.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/error_analysis.py?rev=27661&r1=27660&r2=27661&view=diff
==============================================================================
--- trunk/pipe_control/error_analysis.py (original)
+++ trunk/pipe_control/error_analysis.py Tue Feb 17 16:27:20 2015
@@ -1,6 +1,6 @@
###############################################################################
# #
-# Copyright (C) 2004-2014 Edward d'Auvergne #
+# Copyright (C) 2004-2015 Edward d'Auvergne #
# #
# This file is part of the program relax (http://www.nmr-relax.com). #
# #
@@ -362,18 +362,20 @@
def monte_carlo_setup(number=None, all_select_sim=None):
- """Function for setting up Monte Carlo simulations.
+ """Store the Monte Carlo simulation number.
@keyword number: The number of Monte Carlo simulations to set
up.
@type number: int
- @keyword all_select_sim: The selection status of the Monte Carlo
simulations. The first
- dimension of this matrix corresponds to the
simulation and the
- second corresponds to the instance.
+ @keyword all_select_sim: The selection status of the Monte Carlo
simulations. The first dimension of this matrix corresponds to the simulation
and the second corresponds to the instance.
@type all_select_sim: list of lists of bool
"""
# Test if the current data pipe exists.
check_pipe()
+
+ # Check the value.
+ if number < 3:
+ raise RelaxError("A minimum of 3 Monte Carlo simulations is required.")
# Create a number of MC sim data structures.
cdp.sim_number = number
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