Author: bugman
Date: Tue Oct 21 11:50:12 2008
New Revision: 7876
URL: http://svn.gna.org/viewcvs/relax?rev=7876&view=rev
Log:
Fixes for the model-free LaTeX table generation sample script.
These fixes do not affect the system test result yet - as LaTeX compilation
will not be part of the
test suite - but fix the LaTeX compilation. These will be ported back to the
sample script.
The docstring has been modified as the booktabs package is needed for this
table. The '&'
characters in the spin_id string have been escaped to avoid this being
interpreted as a column
separator. The 'Residue' column has been renamed to 'Spin'. And finally
missing model-free
parameter errors can be handled.
Modified:
1.3/test_suite/system_tests/scripts/latex_mf_table.py
Modified: 1.3/test_suite/system_tests/scripts/latex_mf_table.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/latex_mf_table.py?rev=7876&r1=7875&r2=7876&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/latex_mf_table.py (original)
+++ 1.3/test_suite/system_tests/scripts/latex_mf_table.py Tue Oct 21 11:50:12
2008
@@ -22,10 +22,12 @@
"""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:
+The longtable LaTeX package is necessary to allow the table to span multiple
pages. This table also
+uses the more elegant booktable format. The packages can be included using
the LaTeX preamble
+commands:
\usepackage{longtable}
+\usepackage{booktabs}
Assuming the file name 'results.tex', the resultant table can be placed into
a LaTeX manuscript
with the command:
@@ -34,6 +36,7 @@
"""
# Python module imports.
+from string import replace
import sys
# relax module imports.
@@ -101,7 +104,7 @@
# Headings.
self.file.write("% Headings.\n")
- self.file.write("Residue &%\n")
+ self.file.write("Spin &%\n")
self.file.write("Model &%\n")
self.file.write("\multicolumn{2}{c}{$S^2$} &%\n")
self.file.write("\multicolumn{2}{c}{$S^2_f$} &%\n")
@@ -137,12 +140,25 @@
# End the font size.
self.file.write("\\end{small}\n")
+ # Terminate the document.
+ self.file.write("\\end{document}\n")
+
def latex_header(self):
"""Create the LaTeX header.
This function will need to be heavily modified to suit your needs.
"""
+
+ # Document class - to allow for compilation tests.
+ self.file.write("\documentclass[a4paper, 12pt, twoside]{book}\n\n")
+
+ # Package inclusion.
+ self.file.write("\usepackage{longtable}\n")
+ self.file.write("\usepackage{booktabs}\n\n")
+
+ # Start the document.
+ self.file.write("\\begin{document}\n\n")
# Font size.
self.file.write("% Small font.\n")
@@ -173,6 +189,7 @@
# Loop over the spin systems.
for spin, spin_id in spin_loop(return_id=True):
# The spin ID string.
+ spin_id = replace(spin_id, '&', '\&')
self.file.write("%-20s & " % (spin_id))
# The spin is not selected.
@@ -184,37 +201,55 @@
# S2.
if spin.s2 == None:
- self.file.write("%21s & " % "\\multicolumn{2}{c}{}")
- else:
- self.file.write("%9.3f & %9.3f & " % (spin.s2, spin.s2_err))
+ self.file.write("%25s & " % "\\multicolumn{2}{c}{}")
+ elif not hasattr(spin, 's2_err'):
+ self.file.write("%24s & " % "\\multicolumn{2}{c}{%.3f}" %
spin.s2)
+ else:
+ self.file.write("%11.3f & %11.3f & " % (spin.s2,
spin.s2_err))
# S2f.
if spin.s2f == None:
- self.file.write("%21s & " % "\\multicolumn{2}{c}{}")
- else:
- self.file.write("%9.3f & %9.3f & " % (spin.s2f,
spin.s2f_err))
+ self.file.write("%25s & " % "\\multicolumn{2}{c}{}")
+ elif not hasattr(spin, 's2f_err'):
+ self.file.write("%24s & " % "\\multicolumn{2}{c}{%.3f}" %
spin.s2f)
+ else:
+ self.file.write("%11.3f & %11.3f & " % (spin.s2f,
spin.s2f_err))
# Fast motion (te < 100 ps or tf).
if spin.te != None and spin.te <= 100 * 1e-12:
- self.file.write("%9.2f & %9.2f & " % (spin.te * 1e12,
spin.te_err * 1e12))
+ if not hasattr(spin, 'te_err'):
+ self.file.write("%27s & " % ("\\multicolumn{2}{c}{%.2f}"
% (spin.te * 1e12)))
+ else:
+ self.file.write("%12.2f & %12.2f & " % (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}{}")
+ if not hasattr(spin, 'tf_err'):
+ self.file.write("%27s & " % ("\\multicolumn{2}{c}{%.2f}"
% (spin.tf * 1e12)))
+ else:
+ self.file.write("%12.2f & %12.2f & " % (spin.tf * 1e12,
spin.tf_err * 1e12))
+ else:
+ self.file.write("%27s & " % "\\multicolumn{2}{c}{}")
# Slow motion (te > 100 ps or ts).
if spin.te != None and spin.te > 100 * 1e-12:
- self.file.write("%9.2f & %9.2f & " % (spin.te * 1e12,
spin.te_err * 1e12))
+ if not hasattr(spin, 'te_err'):
+ self.file.write("%27s & " % ("\\multicolumn{2}{c}{%.2f}"
% (spin.te * 1e12)))
+ else:
+ self.file.write("%12.2f & %12.2f & " % (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}{}")
+ if not hasattr(spin, 'ts_err'):
+ self.file.write("%27s & " % ("\\multicolumn{2}{c}{%.2f}"
% (spin.ts * 1e12)))
+ else:
+ self.file.write("%12.2f & %12.2f & " % (spin.ts * 1e12,
spin.ts_err * 1e12))
+ else:
+ self.file.write("%27s & " % "\\multicolumn{2}{c}{}")
# Rex.
if spin.rex == None:
- self.file.write("%21s \\\\\n" % "\\multicolumn{2}{c}{}")
- else:
- 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))
+ self.file.write("%27s \\\\\n" % "\\multicolumn{2}{c}{}")
+ elif not hasattr(spin, 'rex_err'):
+ self.file.write("%27s \\\\\n" % ("\\multicolumn{2}{c}{%.3f}"
% (spin.rex * (2.0 * pi * spin.frq[0])**2)))
+ else:
+ self.file.write("%12.3f & %12.3f \\\\\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")
r7876 - /1.3/test_suite/system_tests/scripts/latex_mf_table.py