Author: bugman
Date: Mon Jun 4 11:11:11 2012
New Revision: 16619
URL: http://svn.gna.org/viewcvs/relax?rev=16619&view=rev
Log:
Improved the whitespace formatting of the spin data write out of
relax_io.write_spin_data().
Now the column sizes are dynamically changed to match the data being written
out. This is to fix
the ugly write outs for when the name of the molecule is very long.
Modified:
branches/uf_redesign/relax_io.py
Modified: branches/uf_redesign/relax_io.py
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/relax_io.py?rev=16619&r1=16618&r2=16619&view=diff
==============================================================================
--- branches/uf_redesign/relax_io.py (original)
+++ branches/uf_redesign/relax_io.py Mon Jun 4 11:11:11 2012
@@ -722,7 +722,7 @@
raise RelaxNoInPathError(binary)
-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, data_length=20, data_format=None, error=None,
error_name=None, error_length=20, error_format=None):
+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.
Description
@@ -757,18 +757,10 @@
@type data: list or list of lists
@keyword data_name: A name corresponding to the data argument. If
the data argument is a list of lists, then this must also be a list with the
same length as the second dimension of the data arg.
@type data_name: str or list of str
- @keyword data_length: The length of the data columns.
- @type data_length: int
- @keyword data_format: The optional python formatting string for the
data columns, e.g. "%-30s".
- @type data_format: None or str
@keyword error: A list of the errors to write out. The first
dimension corresponds to the spins. A second dimension can also be given if
multiple data sets across multiple columns are desired. These will be
inter-dispersed between the data columns, if the data is given. If the data
arg is not None, then this must have the same dimensions as that object.
@type error: list or list of lists
@keyword error_name: A name corresponding to the error argument. If
the error argument is a list of lists, then this must also be a list with the
same length at the second dimension of the error arg.
@type error_name: str or list of str
- @keyword error_length: The length of the error columns.
- @type error_length: int
- @keyword error_format: The optional python formatting string for the
error columns, e.g. "%-30s".
- @type error_format: None or str
"""
# Data argument tests.
@@ -839,106 +831,61 @@
args = [spin_ids, mol_names, res_nums, res_names, spin_nums, spin_names]
arg_names = ['spin_id', 'mol_name', 'res_num', 'res_name', 'spin_num',
'spin_name']
- # No special separator character.
- if sep == None:
- sep = ''
-
- # Open the file.
- file = open_write_file(file_name=file, dir=dir, force=force)
-
- # The spin ID column lengths.
- len_args = [10] * 6
- for i in range(len(args)):
- # Different separator.
- if sep:
- len_args[i] = 0
- continue
-
- # Minimum width of the header name lengths.
- if args[i] and len(arg_names[i]) > len_args[i]:
- len_args[i] = len(arg_names[i]) + 2
-
- # Minimum width of the spin ID data.
- for spin_index in range(N):
- if args[i] and len(repr(args[i][spin_index])) > len_args[i]:
- len_args[i] = len(repr(args[i][spin_index])) + 1
-
- # Data and error formatting strings.
- if sep:
- data_length = ''
- data_head_format = "%%-%ss" % data_length
- if not data_format:
- data_format = "%%%ss" % data_length
- error_head_format = "%%-%ss" % error_length
- if not error_format:
- error_format = "%%%ss" % error_length
-
-
- # Header.
- #########
# Init.
- file.write("\n")
- prefix = '# '
- shift = -2
-
- # The spin ID info.
+ file_data = [[]]
+
+ # Headers - the spin ID info.
for i in range(len(args)):
if args[i]:
- file.write(("%s%%-%ss%s" % (prefix, len_args[i]+shift, sep)) %
arg_names[i])
- prefix = ' '
- shift = 0
-
- # The data.
+ file_data[-1].append(arg_names[i])
+
+ # Headers - the data.
if data:
# List of lists.
if isinstance(data[0], list):
# Loop over the list.
for i in range(len(data[0])):
# The data.
- file.write((prefix+data_head_format+sep) % data_name[i])
+ file_data[-1].append(data_name[i])
# The error.
if error:
- file.write((prefix+error_head_format+sep) %
error_name[i])
+ file_data[-1].append(error_name[i])
# Simple list.
else:
# The data.
- file.write((prefix+data_head_format+sep) % data_name)
+ file_data[-1].append(data_name)
# The error.
if error:
- file.write((prefix+error_head_format+sep) % error_name)
-
- # Only errors.
+ file_data[-1].append(error_name)
+
+ # Headers - only errors.
elif error:
# List of lists.
if isinstance(error[0], list):
for i in range(len(error[0])):
- file.write((prefix+error_head_format+sep) % error_name[i])
+ file_data[-1].append(error_name[i])
# Simple list.
else:
- file.write((prefix+error_head_format+sep) % error_name)
-
- # Terminate the line.
- file.write("\n")
+ file_data[-1].append(error_name)
# Spin specific data.
- #####################
-
- # Loop over the spins.
for spin_index in range(N):
- # The prefix.
- prefix = ''
+ # Append a new data row.
+ file_data.append([])
# The spin ID info.
for i in range(len(args)):
if args[i]:
- file.write(("%s%%-%ss%s" % (prefix, len_args[i], sep)) %
args[i][spin_index])
- prefix = ' '
+ value = args[i][spin_index]
+ if not isinstance(value, str):
+ value = repr(value)
+ file_data[-1].append(value)
# The data.
if data:
@@ -947,34 +894,96 @@
# Loop over the list.
for i in range(len(data[0])):
# The data.
- file.write((prefix+data_format+sep) %
data[spin_index][i])
+ file_data[-1].append(repr(data[spin_index][i]))
# The error.
if error:
- file.write((prefix+error_format+sep) %
error[spin_index][i])
+ file_data[-1].append(repr(error[spin_index][i]))
# Simple list.
else:
# The data.
- file.write((prefix+data_format+sep) % data[spin_index])
+ file_data[-1].append(repr(data[spin_index]))
# The error.
if error:
- file.write((prefix+error_format+sep) % error[spin_index])
+ file_data[-1].append(repr(error[spin_index]))
# Only errors.
elif error:
# List of lists.
if isinstance(error[0], list):
for i in range(len(error[0])):
- file.write((prefix+error_format+sep) %
error[spin_index][i])
+ file_data[-1].append(repr(error[spin_index][i]))
# Simple list.
else:
- file.write((prefix+error_format+sep) % error[spin_index])
-
- # End of the line.
- file.write("\n")
+ file_data[-1].append(repr(error[spin_index]))
+
+ # 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')
r16619 - /branches/uf_redesign/relax_io.py