Author: bugman
Date: Thu Apr 10 12:33:55 2008
New Revision: 5542
URL: http://svn.gna.org/viewcvs/relax?rev=5542&view=rev
Log:
Updated the sequence.write() user function.
Modified:
1.3/prompt/sequence.py
Modified: 1.3/prompt/sequence.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/sequence.py?rev=5542&r1=5541&r2=5542&view=diff
==============================================================================
--- 1.3/prompt/sequence.py (original)
+++ 1.3/prompt/sequence.py Thu Apr 10 12:33:55 2008
@@ -216,8 +216,8 @@
sequence.read(file=file, dir=dir, mol_name_col=mol_name_col,
res_num_col=res_num_col, res_name_col=res_name_col,
spin_num_col=spin_num_col, spin_name_col=spin_name_col, sep=sep)
- def write(self, file=None, dir=None, mol_name_col=None, res_num_col=0,
res_name_col=1, spin_num_col=None, spin_name_col=None, sep=None, force=0):
- """Function for writing sequences of molecules, residues, and/or
spins to a file.
+ def write(self, file, dir=None, sep=None, mol_name_flag=True,
res_num_flag=True, res_name_flag=True, spin_num_flag=True,
spin_name_flag=True, force=False):
+ """Write the molecule, residue, and spin sequence to a file.
Keyword Arguments
~~~~~~~~~~~~~~~~~
@@ -226,19 +226,19 @@
dir: The directory name.
- mol_name_col: The molecule name column (this defaults to no column).
-
- res_num_col: The residue number column (the default is 0, i.e. the
first column).
-
- res_name_col: The residue name column (the default is 1, i.e. the
second column).
-
- spin_num_col: The spin number column (this defaults to no column).
-
- spin_name_col: The spin name column (this defaults to no column).
-
- sep: The column separator (the default is white space).
-
- force: A flag which, if set to 1, will cause the file to be
overwritten.
+ sep: The column separator (the default of None corresponds to white
space).
+
+ mol_name_flag: A flag whic if True will cause the molecule name
column to be shown.
+
+ res_num_flag: A flag whic if True will cause the residue number
column to be shown.
+
+ res_name_flag: A flag whic if True will cause the residue name
column to be shown.
+
+ spin_num_flag: A flag whic if True will cause the spin number
column to be shown.
+
+ spin_name_flag: A flag whic if True will cause the spin name column
to be shown.
+
+ force: A flag which if True will cause the file to be overwritten.
Description
@@ -252,12 +252,12 @@
text = sys.ps3 + "sequence.write("
text = text + "file=" + `file`
text = text + ", dir=" + `dir`
- text = text + ", mol_name_col=" + `mol_name_col`
- text = text + ", res_num_col=" + `res_num_col`
- text = text + ", res_name_col=" + `res_name_col`
- text = text + ", spin_num_col=" + `spin_num_col`
- text = text + ", spin_name_col=" + `spin_name_col`
text = text + ", sep=" + `sep`
+ text = text + ", mol_name_flag=" + `mol_name_flag`
+ text = text + ", res_num_flag=" + `res_num_flag`
+ text = text + ", res_name_flag=" + `res_name_flag`
+ text = text + ", spin_num_flag=" + `spin_num_flag`
+ text = text + ", spin_name_flag=" + `spin_name_flag`
text = text + ", force=" + `force` + ")"
print text
@@ -269,33 +269,33 @@
if dir != None and type(dir) != str:
raise RelaxNoneStrError, ('directory name', dir)
- # Molecule name column.
- if mol_name_col != None and type(mol_name_col) != int:
- raise RelaxNoneIntError, ('molecule name column', mol_name_col)
-
- # Residue number column.
- if res_name_col != None and type(res_num_col) != int:
- raise RelaxNoneIntError, ('residue number column', res_num_col)
-
- # Residue name column.
- if res_name_col != None and type(res_name_col) != int:
- raise RelaxNoneIntError, ('residue name column', res_name_col)
-
- # Spin number column.
- if spin_num_col != None and type(spin_num_col) != int:
- raise RelaxNoneIntError, ('spin number column', spin_num_col)
-
- # Spin name column.
- if spin_name_col != None and type(spin_name_col) != int:
- raise RelaxNoneIntError, ('spin name column', spin_name_col)
-
# Column separator.
if sep != None and type(sep) != str:
raise RelaxNoneStrError, ('column separator', sep)
+ # Molecule name flag.
+ if type(mol_name_flag) != bool:
+ raise RelaxBoolError, ('molecule name flag', mol_name_flag)
+
+ # Residue number flag.
+ if type(res_num_flag) != bool:
+ raise RelaxBoolError, ('residue number flag', res_num_flag)
+
+ # Residue name flag.
+ if type(res_name_flag) != bool:
+ raise RelaxBoolError, ('residue name flag', res_name_flag)
+
+ # Spin number flag.
+ if type(spin_num_flag) != bool:
+ raise RelaxBoolError, ('spin number flag', spin_num_flag)
+
+ # Spin name flag.
+ if type(spin_name_flag) != bool:
+ raise RelaxBoolError, ('spin name flag', spin_name_flag)
+
# The force flag.
- if type(force) != int or (force != 0 and force != 1):
- raise RelaxBinError, ('force flag', force)
+ if type(force) != bool:
+ raise RelaxBoolError, ('force flag', force)
# Execute the functional code.
- sequence.write(file=file, dir=dir, mol_name_col=mol_name_col,
res_num_col=res_num_col, res_name_col=res_name_col,
spin_num_col=spin_num_col, spin_name_col=spin_name_col, sep=sep, force=force)
+ sequence.write(file=file, dir=dir, sep=sep,
mol_name_flag=mol_name_flag, res_num_flag=res_num_flag,
res_name_flag=res_name_flag, spin_num_flag=spin_num_flag,
spin_name_flag=spin_name_flag, force=force)
r5542 - /1.3/prompt/sequence.py