Author: michaelbieri
Date: Mon May 30 04:22:02 2011
New Revision: 12827
URL: http://svn.gna.org/viewcvs/relax?rev=12827&view=rev
Log:
Renamed file parameter.
Modified:
1.3/sample_scripts/model_free/final_data_extraction.py
Modified: 1.3/sample_scripts/model_free/final_data_extraction.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/final_data_extraction.py?rev=12827&r1=12826&r2=12827&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/final_data_extraction.py (original)
+++ 1.3/sample_scripts/model_free/final_data_extraction.py Mon May 30
04:22:02 2011
@@ -26,36 +26,36 @@
#create file
-self.file = open('Model-free_Results.csv', 'w')
-
-self.file.write('Data Extraction by Michael Bieri')
-self.file.write("\n")
-self.file.write("\n")
-self.file.write("Residue,Model,S2,Rex\n")
-self.file.write("\n")
+file = open('Model-free_Results.csv', 'w')
+
+file.write('Data Extraction by Michael Bieri')
+file.write("\n")
+file.write("\n")
+file.write("Residue,Model,S2,Rex\n")
+file.write("\n")
for spin, spin_id in spin_loop(return_id=True):
# The spin ID string.
spin_no = spin_id[spin_id.index(':')+1:spin_id.index('&')]
spin_res = spin_id[spin_id.index('&')+2:spin_id.index('@')]
- self.file.write((spin_res) + " " + (spin_no))
+ file.write((spin_res) + " " + (spin_no))
# The spin is not selected.
if not spin.select:
- self.file.write("\n")
+ file.write("\n")
continue
# Write separator.
else:
- self.file.write(",")
+ file.write(",")
# The model-free model.
if hasattr(spin, 'model'):
spin.model = spin.model[1:2]
- self.file.write(spin.model)
- # Write separator.
- else:
- self.file.write(",")
+ file.write(spin.model)
+ # Write separator.
+ else:
+ file.write(",")
# S2.
@@ -63,12 +63,12 @@
s2 = str(spin.s2)
s2_err = str(spin.s2_err)
if spin.s2 == None:
- self.file.write("")
- else:
- self.file.write(s2[0:5]+ " +/- " + s2_err[0:4])
- # Write separator.
- else:
- self.file.write(",")
+ file.write("")
+ else:
+ file.write(s2[0:5]+ " +/- " + s2_err[0:4])
+ # Write separator.
+ else:
+ file.write(",")
# Rex.
@@ -76,15 +76,15 @@
rex = str(spin.rex)
rex_err = str(spin.rex_err)
if spin.rex == None:
- self.file.write("")
- else:
- self.file.write(rex[0:5]+ " +/- " + rex_err[0:4])
- # Write separator.
- else:
- self.file.write(",")
+ file.write("")
+ else:
+ file.write(rex[0:5]+ " +/- " + rex_err[0:4])
+ # Write separator.
+ else:
+ file.write(",")
# Start a new line.
- self.file.write("\n")
+ file.write("\n")
# Close file.
file.close()
@@ -146,12 +146,12 @@
#create file
-self.file = open('s2.pml', 'w')
-
-self.file.write("bg_color white\n")
-self.file.write("color gray90\n")
-self.file.write("hide all\n")
-self.file.write("show ribbon\n")
+file = open('s2.pml', 'w')
+
+file.write("bg_color white\n")
+file.write("color gray90\n")
+file.write("hide all\n")
+file.write("show ribbon\n")
for spin, spin_id in spin_loop(return_id=True):
@@ -163,22 +163,22 @@
if hasattr(spin, 's2'):
s2 = str(spin.s2)
if spin.s2 == None:
- self.file.write("")
+ file.write("")
else:
width = ((1-spin.s2) * 2)
green = 1 - ((spin.s2)**3)
green = green * green * green #* green * green
green = 1 - green
- self.file.write("set_color resicolor" + spin_no + ",
[0," + str(green) + ",1]\n")
- self.file.write("color resicolor" + spin_no + ",
resi " + spin_no + "\n")
- self.file.write("set_bond stick_radius, " +
str(width) + ", resi " + spin_no + "\n")
-
-
-
-self.file.write("hide all\n")
-self.file.write("show sticks, name C+N+CA\n")
-self.file.write("set stick_quality, 10\n")
-self.file.write("ray\n")
+ file.write("set_color resicolor" + spin_no + ", [0,"
+ str(green) + ",1]\n")
+ file.write("color resicolor" + spin_no + ", resi " +
spin_no + "\n")
+ file.write("set_bond stick_radius, " + str(width) +
", resi " + spin_no + "\n")
+
+
+
+file.write("hide all\n")
+file.write("show sticks, name C+N+CA\n")
+file.write("set stick_quality, 10\n")
+file.write("ray\n")
##################################################################################################
@@ -187,12 +187,12 @@
#create file
-self.file = open('rex.pml', 'w')
-
-self.file.write("bg_color white\n")
-self.file.write("color gray90\n")
-self.file.write("hide all\n")
-self.file.write("show ribbon\n")
+file = open('rex.pml', 'w')
+
+file.write("bg_color white\n")
+file.write("color gray90\n")
+file.write("hide all\n")
+file.write("show ribbon\n")
max_rex = 0
@@ -214,23 +214,23 @@
if hasattr(spin, 'rex'):
rex = str(spin.rex)
if spin.rex == None:
- self.file.write("")
+ file.write("")
else:
rel_rex = spin.rex / max_rex
width = ((rel_rex) * 2)
green = ((rel_rex))
green = green * green * green #* green * green
green = 1 - green
- self.file.write("set_color resicolor" + spin_no + ",
[0," + str(green) + ",1]\n")
- self.file.write("color resicolor" + spin_no + ",
resi " + spin_no + "\n")
- self.file.write("set_bond stick_radius, " +
str(width) + ", resi " + spin_no + "\n")
-
-
-
-self.file.write("hide all\n")
-self.file.write("show sticks, name C+N+CA\n")
-self.file.write("set stick_quality, 10\n")
-self.file.write("ray\n")
+ file.write("set_color resicolor" + spin_no + ", [0,"
+ str(green) + ",1]\n")
+ file.write("color resicolor" + spin_no + ", resi " +
spin_no + "\n")
+ file.write("set_bond stick_radius, " + str(width) +
", resi " + spin_no + "\n")
+
+
+
+file.write("hide all\n")
+file.write("show sticks, name C+N+CA\n")
+file.write("set stick_quality, 10\n")
+file.write("ray\n")
r12827 - /1.3/sample_scripts/model_free/final_data_extraction.py