Author: bugman
Date: Thu Sep 5 12:20:47 2013
New Revision: 20831
URL: http://svn.gna.org/viewcvs/relax?rev=20831&view=rev
Log:
Created the new specific_analyses.relax_disp.checks module.
This contains many check_*() functions for raising RelaxErrors to tell the
user when something is
wrong. This will be used to simplify, make more consistent, and fix
cdp.exp_type errors in the
dispersion code.
Added:
branches/relax_disp/specific_analyses/relax_disp/checks.py
Modified:
branches/relax_disp/specific_analyses/relax_disp/__init__.py
Modified: branches/relax_disp/specific_analyses/relax_disp/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/__init__.py?rev=20831&r1=20830&r2=20831&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/__init__.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/__init__.py Thu Sep 5
12:20:47 2013
@@ -26,6 +26,7 @@
# The available modules.
__all__ = [
'api',
+ 'checks',
'cpmgfit',
'disp_data',
'parameters',
Added: branches/relax_disp/specific_analyses/relax_disp/checks.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/checks.py?rev=20831&view=auto
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/checks.py (added)
+++ branches/relax_disp/specific_analyses/relax_disp/checks.py Thu Sep 5
12:20:47 2013
@@ -1,0 +1,126 @@
+###############################################################################
+#
#
+# Copyright (C) 2013 Edward d'Auvergne
#
+#
#
+# This file is part of the program relax (http://www.nmr-relax.com).
#
+#
#
+# This program 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 3 of the License, or
#
+# (at your option) any later version.
#
+#
#
+# This program 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 this program. If not, see <http://www.gnu.org/licenses/>.
#
+#
#
+###############################################################################
+
+# Module docstring.
+"""Module for functions for checking different aspects of the dispersion
setup.
+
+These functions raise various RelaxErrors to help the user understand what
went wrong. To avoid circular imports, these functions must be independent
and not import anything from the specific_analyses.relax_disp package (the
variables module is an exception).
+"""
+
+# relax module imports.
+from dep_check import C_module_exp_fn
+from lib.errors import RelaxError, RelaxFuncSetupError
+import specific_analyses
+from specific_analyses.relax_disp.variables import EXP_TYPE_LIST_FIXED_TIME,
EXP_TYPE_LIST_VAR_TIME
+
+
+def check_c_modules():
+ """Check for the presence of the compiled C-modules.
+
+ @raises RelaxError: If the compiled C-module is not present and
exponential curves are required.
+ """
+
+ # Loop over the experiment types.
+ for exp_type in cdp.exp_type_list:
+ if exp_type in EXP_TYPE_LIST_VAR_TIME and not C_module_exp_fn:
+ raise RelaxError("The exponential curve-fitting C module cannot
be found.")
+
+
+def check_disp_points():
+ """Check that the CPMG frequencies or spin-lock field strengths have
been set up.
+
+ @raises RelaxError: If the dispersion point data is missing.
+ """
+
+ # Test if the curve count exists.
+ if not hasattr(cdp, 'dispersion_points'):
+ raise RelaxError("The CPMG frequencies or spin-lock field strengths
have not been set up.")
+
+
+def check_exp_type():
+ """Check if the experiment types have been set up.
+
+ @raises RelaxError: If the dispersion experiment type has not been set.
+ """
+
+ # Test if the experiment type is set.
+ if not hasattr(cdp, 'exp_type'):
+ raise RelaxError("The relaxation dispersion experiment type has not
been set for any spectra.")
+
+ # Check each spectrum ID.
+ for id in cdp.spectrum_ids:
+ if id not in cdp.exp_type:
+ raise RelaxError("The relaxation dispersion experiment type has
not been set for the %s spectrum." % id)
+
+
+def check_exp_type_fixed_time():
+ """Check that only fixed time experiment types have been set up.
+
+ @raises RelaxError: If exponential curves are present.
+ """
+
+ # Loop over all experiment types.
+ for exp_type in cdp.exp_type_list:
+ if exp_type in EXP_TYPE_LIST_VAR_TIME:
+ raise RelaxError("The experiment '%s' is not of the fixed
relaxation time period data type." % exp_type)
+
+
+def check_mixed_curve_types():
+ """Prevent both fixed time and exponential curves from being analysed
simultaneously.
+
+ @raises RelaxError: If mixed curve types are present.
+ """
+
+ # Loop over all experiment types.
+ var_flag = False
+ fixed_flag = False
+ for exp_type in cdp.exp_type_list:
+ if exp_type in EXP_TYPE_LIST_VAR_TIME:
+ var_flag = True
+ if exp_type in EXP_TYPE_LIST_FIXED_TIME:
+ fixed_flag = True
+
+ # The check.
+ if var_flag and fixed_flag:
+ raise RelaxError("Fixed time and exponential curves cannot be
analysed simultaneously.")
+
+
+def check_model_type():
+ """Check that the dispersion model has been set.
+
+ @raises RelaxError: If the dispersion model has not been specified.
+ """
+
+ # Test if the model has been set.
+ if not hasattr(cdp, 'model_type'):
+ raise RelaxError("The relaxation dispersion model has not been
specified.")
+
+
+def check_pipe_type():
+ """Check that the data pipe type is that of relaxation dispersion.
+
+ @raises RelaxFuncSetupError: If the data pipe type is not set to
'relax_disp'.
+ """
+
+ # Test if the pipe type is set to 'relax_disp'.
+ function_type = cdp.pipe_type
+ if function_type != 'relax_disp':
+ raise
RelaxFuncSetupError(specific_analyses.setup.get_string(function_type))
r20831 - in /branches/relax_disp/specific_analyses/relax_disp: __init__.py checks.py