r18080 - /trunk/relax_io.py -- December 07, 2012 - 18:15

Author: bugman
Date: Fri Dec  7 18:15:41 2012
New Revision: 18080

URL: http://svn.gna.org/viewcvs/relax?rev=18080&view=rev
Log:
The relax_io.write_spin_data() function now formats floating point numbers 
better.

This affects the printouts of many data loading user functions.


Modified:
    trunk/relax_io.py

Modified: trunk/relax_io.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/relax_io.py?rev=18080&r1=18079&r2=18080&view=diff
==============================================================================
--- trunk/relax_io.py (original)
+++ trunk/relax_io.py Fri Dec  7 18:15:41 2012
@@ -49,7 +49,7 @@
 from warnings import warn
 
 # relax module imports.
-from check_types import is_filetype
+from check_types import is_filetype, is_float
 import generic_fns
 from relax_errors import RelaxError, RelaxFileError, 
RelaxFileOverwriteError, RelaxInvalidSeqError, RelaxMissingBinaryError, 
RelaxNoInPathError, RelaxNonExecError
 from relax_warnings import RelaxWarning, RelaxFileEmptyWarning
@@ -883,7 +883,7 @@
             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):
+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, 
float_format="%20.15f"):
     """Generator function for reading the spin specific data from file.
 
     Description
@@ -922,6 +922,8 @@
     @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 float_format:  A float formatting string to use for the data 
and error whenever a float is found.
+    @type float_format:     str
     """
 
     # Data argument tests.
@@ -1059,20 +1061,32 @@
                 # Loop over the list.
                 for i in range(len(data[0])):
                     # The data.
-                    file_data[-1].append(repr(data[spin_index][i]))
+                    if is_float(data[spin_index][i]):
+                        file_data[-1].append(float_format % 
data[spin_index][i])
+                    else:
+                        file_data[-1].append(repr(data[spin_index][i]))
 
                     # The error.
                     if error:
-                        file_data[-1].append(repr(error[spin_index][i]))
+                        if is_float(error[spin_index][i]):
+                            file_data[-1].append(float_format % 
error[spin_index][i])
+                        else:
+                            file_data[-1].append(repr(error[spin_index][i]))
 
             # Simple list.
             else:
                 # The data.
-                file_data[-1].append(repr(data[spin_index]))
+                if is_float(data[spin_index]):
+                    file_data[-1].append(float_format % data[spin_index])
+                else:
+                    file_data[-1].append(repr(data[spin_index]))
 
                 # The error.
                 if error:
-                    file_data[-1].append(repr(error[spin_index]))
+                    if is_float(error[spin_index]):
+                        file_data[-1].append(float_format % 
error[spin_index])
+                    else:
+                        file_data[-1].append(repr(error[spin_index]))
 
         # Only errors.
         elif error: