Author: bugman
Date: Fri Dec 8 07:50:44 2006
New Revision: 2928
URL: http://svn.gna.org/viewcvs/relax?rev=2928&view=rev
Log:
Added a sample script to create a LaTeX longtable of the model-free results.
Added:
1.3/sample_scripts/latex_mf_table.py
Added: 1.3/sample_scripts/latex_mf_table.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/latex_mf_table.py?rev=2928&view=auto
==============================================================================
--- 1.3/sample_scripts/latex_mf_table.py (added)
+++ 1.3/sample_scripts/latex_mf_table.py Fri Dec 8 07:50:44 2006
@@ -1,0 +1,193 @@
+# 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}
+#
+
+
+class Latex:
+ def __init__(self, relax):
+ """Convert the final results into a LaTeX table."""
+
+ self.relax = relax
+
+ # Create the run.
+ self.run = 'final'
+ run.create(self.run, 'mf')
+
+ # Load the model-free results.
+ results.read(self.run, dir=None)
+
+ # Open the file.
+ self.file = open('results.tex', 'w')
+
+ # LaTeX header.
+ self.latex_header()
+
+ # Table headings.
+ self.headings()
+
+ # Table footer (longtable repeating footers come just after the
headings).
+ self.footer()
+
+ # The table body.
+ self.table_body()
+
+ # LaTeX ending.
+ self.latex_ending()
+
+ # Close the file.
+ self.file.close()
+
+
+ def footer(self):
+ """Create the end of the table."""
+
+ # Bottomrule.
+ self.file.write("\\bottomrule\n")
+
+ # End the repeating footer.
+ self.file.write("\\endfoot\n\n")
+
+
+ def headings(self):
+ """Create the LaTeX table headings."""
+
+ # Spacing.
+ self.file.write("\\\\[-5pt]\n")
+
+ # Toprule.
+ self.file.write("\\toprule\n\n")
+
+ # Headings.
+ self.file.write("% Headings.\n")
+ self.file.write("Residue &%\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")
+ 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}{$R_{ex}$ (" +
`self.relax.data.frq[self.run][0] / 1e6` + " MHz)} \\\\\n")
+ self.file.write("\n")
+
+ # Units.
+ self.file.write("% Units.\n")
+ self.file.write("&%\n")
+ self.file.write("&%\n")
+ self.file.write("\multicolumn{2}{c}{} &%\n")
+ self.file.write("\multicolumn{2}{c}{} &%\n")
+ self.file.write("\multicolumn{2}{c}{($ps$)} &%\n")
+ self.file.write("\multicolumn{2}{c}{($ps$)} &%\n")
+ self.file.write("\multicolumn{2}{c}{($s^{-1}$)} \\\\\n")
+ self.file.write("\n")
+
+ # Midrule.
+ self.file.write("\\midrule\n")
+
+ # End the repeating heading.
+ self.file.write("\\endhead\n\n")
+
+
+ def latex_ending(self):
+ """Create the end of the table."""
+
+ # End the longtable environment.
+ self.file.write("\\end{longtable}\n")
+
+ # End the font size.
+ self.file.write("\\end{small}\n")
+
+
+ def latex_header(self):
+ """Create the LaTeX header.
+
+ This function will need to be heavily modified to suit your needs.
+ """
+
+ # Font size.
+ self.file.write("% Small font.\n")
+ self.file.write("\\begin{small}\n\n")
+
+ # The longtable environment.
+ self.file.write("% The longtable environment.\n")
+ self.file.write("\\begin{longtable}{l l r @{$\\pm$} l r @{$\\pm$} l
r @{$\\pm$} l r @{$\\pm$} l r @{$\\pm$} l}\n\n")
+
+ # The caption.
+ self.file.write("% Caption.\n")
+ self.file.write("\\caption[Sample list of figures caption]{Sample
full caption}\n\n")
+
+ # The LaTeX label.
+ self.file.write("% Label.\n")
+ self.file.write("\\label{table: model-free results}\n\n")
+
+
+ def table_body(self):
+ """Create the table body.
+
+ This function need not be modified.
+ """
+
+ # Comment.
+ self.file.write("% The table body.\n")
+
+ # Loop over the spin systems.
+ for i in xrange(len(self.relax.data.res[self.run])):
+ # Alias the spin system data container.
+ data = self.relax.data.res[self.run][i]
+
+ # The residue tag.
+ self.file.write("%-7s & " % (data.name + `data.num`))
+
+ # The residue is not selected.
+ if not data.select:
+ self.file.write(res + "\\\n")
+
+ # The model-free model.
+ self.file.write("$%s$ & " % data.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))
+
+ # 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))
+
+ # 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))
+ 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))
+ else:
+ self.file.write("%21s & " % "\\multicolumn{2}{c}{}")
+
+ # Rex.
+ if data.rex == None:
+ self.file.write("%21s \\\\\n" % "\\multicolumn{2}{c}{}")
+ else:
+ self.file.write("%9.3f & %9.3f \\\\\n" % (data.rex * (2.0 *
pi * self.relax.data.frq[self.run][0])**2, data.rex_err * (2.0 * pi *
self.relax.data.frq[self.run][0])**2))
+
+ # Start a new line.
+ self.file.write("\n")
+
+
+Latex(self.relax)
r2928 - /1.3/sample_scripts/latex_mf_table.py