Author: bugman
Date: Tue Sep 30 17:36:29 2008
New Revision: 7460
URL: http://svn.gna.org/viewcvs/relax?rev=7460&view=rev
Log:
Updated the latex_mf_table.py sample script to the new design.
The problems were identified with the import of the relax data storage object.
Modified:
branches/pipe_refs/sample_scripts/latex_mf_table.py
Modified: branches/pipe_refs/sample_scripts/latex_mf_table.py
URL:
http://svn.gna.org/viewcvs/relax/branches/pipe_refs/sample_scripts/latex_mf_table.py?rev=7460&r1=7459&r2=7460&view=diff
==============================================================================
--- branches/pipe_refs/sample_scripts/latex_mf_table.py (original)
+++ branches/pipe_refs/sample_scripts/latex_mf_table.py Tue Sep 30 17:36:29
2008
@@ -1,34 +1,56 @@
-# Script for converting the model-free results into a LaTeX table.
-#
-# The longtable LaTeX package is necessary to allow the table to span
multiple pages. The package
-# can be included using the LaTeX command:
-#
-# \usepackage{longtable}
-#
-# Assuming the file name 'results.tex', the resultant table can be placed
into a LaTeX manuscript
-# with the command:
-#
-# \input{results}
-#
-
+###############################################################################
+#
#
+# Copyright (C) 2007-2008 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
#
+#
#
+###############################################################################
+
+"""Script for converting the model-free results into a LaTeX table.
+
+The longtable LaTeX package is necessary to allow the table to span multiple
pages. The package
+can be included using the LaTeX command:
+
+\usepackage{longtable}
+
+Assuming the file name 'results.tex', the resultant table can be placed into
a LaTeX manuscript
+with the command:
+
+\input{results}
+"""
# The relax data storage object.
-from data import Relax_data_store; ds = Relax_data_store()
-
+from generic_fns.mol_res_spin import spin_loop
+from generic_fns import pipes
+
+
+# Name of the results file.
+RESULTS_FILE = 'final'
class Latex:
- def __init__(self, relax):
+ def __init__(self):
"""Convert the final results into a LaTeX table."""
- self.relax = relax
-
- # Create the run.
- self.run = 'final'
- pipe.create(self.run, 'mf')
+ # Create the data pipe.
+ pipe.create(RESULTS_FILE, 'mf')
# Load the model-free results.
- results.read(self.run, dir=None)
+ results.read(RESULTS_FILE, dir=None)
# Open the file.
self.file = open('results.tex', 'w')
@@ -64,6 +86,9 @@
def headings(self):
"""Create the LaTeX table headings."""
+
+ # Get the current data pipe.
+ cdp = pipes.get_pipe()
# Spacing.
self.file.write("\\\\[-5pt]\n")
@@ -79,7 +104,7 @@
self.file.write("\multicolumn{2}{c}{$S^2_f$} &%\n")
self.file.write("\multicolumn{2}{c}{$\\tau_e < 100$ or $\\tau_f$}
&%\n")
self.file.write("\multicolumn{2}{c}{$\\tau_e > 100$ or $\\tau_s$}
&%\n")
- self.file.write("\multicolumn{2}{c}{$R_{ex}$ (" +
`ds.frq[self.run][0] / 1e6` + " MHz)} \\\\\n")
+ self.file.write("\multicolumn{2}{c}{$R_{ex}$ (" + `cdp.frq[0] / 1e6`
+ " MHz)} \\\\\n")
self.file.write("\n")
# Units.
@@ -143,56 +168,53 @@
self.file.write("% The table body.\n")
# Loop over the spin systems.
- for i in xrange(len(ds.res[self.run])):
- # Alias the spin system data container.
- data = ds.res[self.run][i]
-
- # The residue tag.
- self.file.write("%-7s & " % (data.name + `data.num`))
-
- # The residue is not selected.
- if not data.select:
+ for spin, spin_id in spin_loop(return_id=True)
+ # The spin ID string.
+ self.file.write("%-20s & " % (spin.name + `spin.num`))
+
+ # The spin is not selected.
+ if not spin.select:
self.file.write("\\\n")
# The model-free model.
- self.file.write("$%s$ & " % data.model)
+ self.file.write("$%s$ & " % spin.model)
# S2.
- if data.s2 == None:
- self.file.write("%21s & " % "\\multicolumn{2}{c}{}")
- else:
- self.file.write("%9.3f & %9.3f & " % (data.s2, data.s2_err))
+ if spin.s2 == None:
+ self.file.write("%21s & " % "\\multicolumn{2}{c}{}")
+ else:
+ self.file.write("%9.3f & %9.3f & " % (spin.s2, spin.s2_err))
# S2f.
- if data.s2f == None:
- self.file.write("%21s & " % "\\multicolumn{2}{c}{}")
- else:
- self.file.write("%9.3f & %9.3f & " % (data.s2f,
data.s2f_err))
+ if spin.s2f == None:
+ self.file.write("%21s & " % "\\multicolumn{2}{c}{}")
+ else:
+ self.file.write("%9.3f & %9.3f & " % (spin.s2f,
spin.s2f_err))
# Fast motion (te < 100 ps or tf).
- if data.te != None and data.te <= 100 * 1e-12:
- self.file.write("%9.2f & %9.2f & " % (data.te * 1e12,
data.te_err * 1e12))
- elif data.tf != None:
- self.file.write("%9.2f & %9.2f & " % (data.tf * 1e12,
data.tf_err * 1e12))
+ if spin.te != None and spin.te <= 100 * 1e-12:
+ self.file.write("%9.2f & %9.2f & " % (spin.te * 1e12,
spin.te_err * 1e12))
+ elif spin.tf != None:
+ self.file.write("%9.2f & %9.2f & " % (spin.tf * 1e12,
spin.tf_err * 1e12))
else:
self.file.write("%21s & " % "\\multicolumn{2}{c}{}")
# Slow motion (te > 100 ps or ts).
- if data.te != None and data.te > 100 * 1e-12:
- self.file.write("%9.2f & %9.2f & " % (data.te * 1e12,
data.te_err * 1e12))
- elif data.ts != None:
- self.file.write("%9.2f & %9.2f & " % (data.ts * 1e12,
data.ts_err * 1e12))
+ if spin.te != None and spin.te > 100 * 1e-12:
+ self.file.write("%9.2f & %9.2f & " % (spin.te * 1e12,
spin.te_err * 1e12))
+ elif spin.ts != None:
+ self.file.write("%9.2f & %9.2f & " % (spin.ts * 1e12,
spin.ts_err * 1e12))
else:
self.file.write("%21s & " % "\\multicolumn{2}{c}{}")
# Rex.
- if data.rex == None:
+ if spin.rex == None:
self.file.write("%21s \\\\\n" % "\\multicolumn{2}{c}{}")
else:
- self.file.write("%9.3f & %9.3f \\\\\n" % (data.rex * (2.0 *
pi * ds.frq[self.run][0])**2, data.rex_err * (2.0 * pi *
ds.frq[self.run][0])**2))
+ self.file.write("%9.3f & %9.3f \\\\\n" % (spin.rex * (2.0 *
pi * spin.frq[0])**2, spin.rex_err * (2.0 * pi * spin.frq[0])**2))
# Start a new line.
self.file.write("\n")
-Latex(self.relax)
+Latex()
r7460 - /branches/pipe_refs/sample_scripts/latex_mf_table.py