Author: semor
Date: Fri Oct 17 21:34:13 2008
New Revision: 7802
URL: http://svn.gna.org/viewcvs/relax?rev=7802&view=rev
Log:
Ordered functions alphabetically.
Modified:
1.3/generic_fns/intensity.py
Modified: 1.3/generic_fns/intensity.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/intensity.py?rev=7802&r1=7801&r2=7802&view=diff
==============================================================================
--- 1.3/generic_fns/intensity.py (original)
+++ 1.3/generic_fns/intensity.py Fri Oct 17 21:34:13 2008
@@ -89,101 +89,6 @@
# Not implemented yet...
-
-
-def intensity_sparky(line, int_col):
- """Function for returning relevant data from the Sparky peak intensity
line.
-
- The residue number, heteronucleus and proton names, and peak intensity
will be returned.
-
-
- @param line: The single line of information from the intensity
file.
- @type line: list of str
- @keyword int_col: The column containing the peak intensity data (for a
non-standard formatted
- file).
- @type int_col: int
- @raises RelaxError: When the expected peak intensity is not a float.
- """
-
-
- # The Sparky assignment.
- assignment = ''
- res_num = ''
- h_name = ''
- x_name = ''
- intensity = ''
- if line[0]!='?-?':
- assignment = split('([A-Z]+)', line[0])
- assignment = assignment[1:-1]
-
- # The residue number.
- try:
- res_num = int(assignment[1])
- except:
- raise RelaxError, "Improperly formatted Sparky file."
-
- # Nuclei names.
- x_name = assignment[2]
- h_name = assignment[4]
-
- # The peak intensity column.
- if int_col == None:
- int_col = 3
-
- # Intensity.
- try:
- intensity = float(line[int_col])
- except ValueError:
- raise RelaxError, "The peak intensity value " + `intensity` + "
from the line " + `line` + " is invalid."
-
- # Return the data.
- return res_num, h_name, x_name, intensity
-
-
-def intensity_xeasy(line, int_col, H_dim='w1'):
- """Function for returning relevant data from the XEasy peak intensity
line.
-
- The residue number, heteronucleus and proton names, and peak intensity
will be returned.
-
-
- @param line: The single line of information from the intensity
file.
- @type line: list of str
- @keyword int_col: The column containing the peak intensity data (for a
non-standard formatted
- file).
- @type int_col: int
- @raises RelaxError: When the expected peak intensity is not a float.
- """
-
- # Test for invalid assignment lines which have the column numbers
changed and return empty data.
- if line[4] == 'inv.':
- return None, None, None, 0.0
-
- # The residue number.
- try:
- res_num = int(line[5])
- except:
- raise RelaxError, "Improperly formatted XEasy file."
-
- # Nuclei names.
- if H_dim == 'w1':
- h_name = line[4]
- x_name = line[7]
- else:
- x_name = line[4]
- h_name = line[7]
-
- # The peak intensity column.
- if int_col == None:
- int_col = 10
-
- # Intensity.
- try:
- intensity = float(line[int_col])
- except ValueError:
- raise RelaxError, "The peak intensity value " + `intensity` + " from
the line " + `line` + " is invalid."
-
- # Return the data.
- return res_num, h_name, x_name, intensity
def intensity_nmrview(line, int_col):
@@ -232,6 +137,101 @@
print 'Using peak heights.'
if int_col == 15:
print 'Using peak volumes (or evolumes).'
+
+ # Intensity.
+ try:
+ intensity = float(line[int_col])
+ except ValueError:
+ raise RelaxError, "The peak intensity value " + `intensity` + " from
the line " + `line` + " is invalid."
+
+ # Return the data.
+ return res_num, h_name, x_name, intensity
+
+
+def intensity_sparky(line, int_col):
+ """Function for returning relevant data from the Sparky peak intensity
line.
+
+ The residue number, heteronucleus and proton names, and peak intensity
will be returned.
+
+
+ @param line: The single line of information from the intensity
file.
+ @type line: list of str
+ @keyword int_col: The column containing the peak intensity data (for a
non-standard formatted
+ file).
+ @type int_col: int
+ @raises RelaxError: When the expected peak intensity is not a float.
+ """
+
+
+ # The Sparky assignment.
+ assignment = ''
+ res_num = ''
+ h_name = ''
+ x_name = ''
+ intensity = ''
+ if line[0]!='?-?':
+ assignment = split('([A-Z]+)', line[0])
+ assignment = assignment[1:-1]
+
+ # The residue number.
+ try:
+ res_num = int(assignment[1])
+ except:
+ raise RelaxError, "Improperly formatted Sparky file."
+
+ # Nuclei names.
+ x_name = assignment[2]
+ h_name = assignment[4]
+
+ # The peak intensity column.
+ if int_col == None:
+ int_col = 3
+
+ # Intensity.
+ try:
+ intensity = float(line[int_col])
+ except ValueError:
+ raise RelaxError, "The peak intensity value " + `intensity` + "
from the line " + `line` + " is invalid."
+
+ # Return the data.
+ return res_num, h_name, x_name, intensity
+
+
+def intensity_xeasy(line, int_col, H_dim='w1'):
+ """Function for returning relevant data from the XEasy peak intensity
line.
+
+ The residue number, heteronucleus and proton names, and peak intensity
will be returned.
+
+
+ @param line: The single line of information from the intensity
file.
+ @type line: list of str
+ @keyword int_col: The column containing the peak intensity data (for a
non-standard formatted
+ file).
+ @type int_col: int
+ @raises RelaxError: When the expected peak intensity is not a float.
+ """
+
+ # Test for invalid assignment lines which have the column numbers
changed and return empty data.
+ if line[4] == 'inv.':
+ return None, None, None, 0.0
+
+ # The residue number.
+ try:
+ res_num = int(line[5])
+ except:
+ raise RelaxError, "Improperly formatted XEasy file."
+
+ # Nuclei names.
+ if H_dim == 'w1':
+ h_name = line[4]
+ x_name = line[7]
+ else:
+ x_name = line[4]
+ h_name = line[7]
+
+ # The peak intensity column.
+ if int_col == None:
+ int_col = 10
# Intensity.
try:
r7802 - /1.3/generic_fns/intensity.py