Author: bugman
Date: Mon Jun 11 19:55:17 2012
New Revision: 16847
URL: http://svn.gna.org/viewcvs/relax?rev=16847&view=rev
Log:
Spun out the automatic column width formatting code from
relax_io.write_spin_data() to write_data().
The write_data() will be useful for many other columnar data printouts, and
will write out to any
file handles given to it.
Modified:
trunk/relax_io.py
Modified: trunk/relax_io.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/relax_io.py?rev=16847&r1=16846&r2=16847&view=diff
==============================================================================
--- trunk/relax_io.py (original)
+++ trunk/relax_io.py Mon Jun 11 19:55:17 2012
@@ -722,6 +722,91 @@
raise RelaxNoInPathError(binary)
+def write_data(out=None, headings=None, data=None, sep=None):
+ """Write out a table of the data to the given file handle.
+
+ @keyword out: The file handle to write to.
+ @type out: file handle
+ @keyword headings: The optional headings to print out.
+ @type headings: list of str or None
+ @keyword data: The data to print out.
+ @type data: list of list of str
+ @keyword sep: The column separator which, if None, defaults to
whitespace.
+ @type sep: str or None
+ """
+
+ # The number of rows and columns.
+ num_rows = len(data)
+ num_cols = len(data[0])
+
+ # Pretty whitespace formatting.
+ if sep == None:
+ # Determine the widths for the headings.
+ widths = []
+ for j in range(num_cols):
+ if headings != None:
+ if j == 0:
+ widths.append(len(headings[j]) + 2)
+ else:
+ widths.append(len(headings[j]))
+
+ # No headings.
+ else:
+ widths.append(0)
+
+ # Determine the maximum column widths for nice whitespace formatting.
+ for i in range(num_rows):
+ for j in range(num_cols):
+ size = len(data[i][j])
+ if size > widths[j]:
+ widths[j] = size
+
+ # Convert to format strings.
+ formats = []
+ for j in range(num_cols):
+ formats.append("%%-%ss" % (widths[j] + 4))
+
+ # The headings.
+ if headings != None:
+ out.write(formats[0] % ("# " + headings[0]))
+ for j in range(1, num_cols):
+ out.write(formats[j] % headings[j])
+ out.write('\n')
+
+ # The data.
+ for i in range(num_rows):
+ # The row.
+ for j in range(num_cols):
+ out.write(formats[j] % data[i][j])
+ out.write('\n')
+
+ # Non-whitespace formatting.
+ else:
+ # The headings.
+ if headings != None:
+ out.write('#')
+ for j in range(num_cols):
+ # The column separator.
+ if j > 0:
+ out.write(sep)
+
+ # The heading.
+ out.write(headings[j])
+ out.write('\n')
+
+ # The data.
+ for i in range(num_rows):
+ # The row.
+ for j in range(num_cols):
+ # The column separator.
+ if j > 0:
+ out.write(sep)
+
+ # The heading.
+ out.write(data[i][j])
+ out.write('\n')
+
+
def write_spin_data(file, dir=None, sep=None, spin_ids=None, mol_names=None,
res_nums=None, res_names=None, spin_nums=None, spin_names=None, force=False,
data=None, data_name=None, error=None, error_name=None):
"""Generator function for reading the spin specific data from file.
@@ -833,12 +918,13 @@
# Init.
- file_data = [[]]
+ headings = []
+ file_data = []
# Headers - the spin ID info.
for i in range(len(args)):
if args[i]:
- file_data[-1].append(arg_names[i])
+ headings.append(arg_names[i])
# Headers - the data.
if data:
@@ -847,32 +933,35 @@
# Loop over the list.
for i in range(len(data[0])):
# The data.
- file_data[-1].append(data_name[i])
+ headings.append(data_name[i])
# The error.
if error:
- file_data[-1].append(error_name[i])
+ headings.append(error_name[i])
# Simple list.
else:
# The data.
- file_data[-1].append(data_name)
+ headings.append(data_name)
# The error.
if error:
- file_data[-1].append(error_name)
+ headings.append(error_name)
# Headers - only errors.
elif error:
# List of lists.
if isinstance(error[0], list):
for i in range(len(error[0])):
- file_data[-1].append(error_name[i])
+ headings.append(error_name[i])
# Simple list.
else:
- file_data[-1].append(error_name)
-
+ headings.append(error_name)
+
+ # No headings.
+ if headings == []:
+ headings = None
# Spin specific data.
for spin_index in range(N):
@@ -921,73 +1010,14 @@
file_data[-1].append(repr(error[spin_index]))
# No data to write, so do nothing!
- if file_data == [[]]:
+ if file_data == [] or file_data == [[]]:
return
# Open the file for writing.
file = open_write_file(file_name=file, dir=dir, force=force)
- # The number of rows and columns.
- num_rows = len(file_data)
- num_cols = len(file_data[0])
-
- # Pretty whitespace formatting.
- if sep == None:
- # Determine the maximum column widths for nice whitespace formatting.
- widths = []
- for j in range(num_cols):
- if j == 0:
- widths.append(len(file_data[0][j]) + 2)
- else:
- widths.append(len(file_data[0][j]))
- for i in range(num_rows):
- for j in range(num_cols):
- size = len(file_data[i][j])
- if size > widths[j]:
- widths[j] = size
-
- # Convert to format strings.
- formats = []
- for j in range(num_cols):
- formats.append("%%-%ss" % (widths[j] + 4))
-
- # The headings.
- file.write(formats[0] % ("# " + file_data[0][0]))
- for j in range(1, num_cols):
- file.write(formats[j] % file_data[0][j])
- file.write('\n')
-
- # The data.
- for i in range(1, num_rows):
- # The row.
- for j in range(num_cols):
- file.write(formats[j] % file_data[i][j])
- file.write('\n')
-
- # Non-whitespace formatting.
- else:
- # The headings.
- file.write('#')
- for j in range(num_cols):
- # The column separator.
- if j > 0:
- file.write(sep)
-
- # The heading.
- file.write(file_data[0][j])
- file.write('\n')
-
- # The data.
- for i in range(1, num_rows):
- # The row.
- for j in range(num_cols):
- # The column separator.
- if j > 0:
- file.write(sep)
-
- # The heading.
- file.write(file_data[i][j])
- file.write('\n')
+ # Write out the file data.
+ write_data(out=file, headings=headings, data=file_data, sep=sep)
r16847 - /trunk/relax_io.py