r5551 - /1.3/prompt/structure.py -- April 10, 2008 - 14:36

Author: bugman
Date: Thu Apr 10 14:36:03 2008
New Revision: 5551

URL: http://svn.gna.org/viewcvs/relax?rev=5551&view=rev
Log:
Changed the flag args of the structre.create_vect_dist() user function to 
bools.

The flags args have been shifted to the end as well.


Modified:
    1.3/prompt/structure.py

Modified: 1.3/prompt/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/prompt/structure.py?rev=5551&r1=5550&r2=5551&view=diff
==============================================================================
--- 1.3/prompt/structure.py (original)
+++ 1.3/prompt/structure.py Thu Apr 10 14:36:03 2008
@@ -167,7 +167,7 @@
         generic_fns.structure.geometric.create_diff_tensor_pdb(scale=scale, 
file=file, dir=dir, force=force)
 
 
-    def create_vector_dist(self, length=2e-9, symmetry=1, 
file='XH_dist.pdb', dir=None, force=0):
+    def create_vector_dist(self, length=2e-9, file='XH_dist.pdb', dir=None, 
symmetry=True, force=False):
         """Create a PDB file representation of the distribution of XH bond 
vectors.
 
         Keyword Arguments
@@ -175,14 +175,14 @@
 
         length:  The length of the vectors in the PDB representation 
(meters).
 
-        symmetry:  A flag which, if set to 1, will create a second chain 
with reversed XH bond
+        file:  The name of the PDB file.
+
+        dir:  The directory to place the file into.
+
+        symmetry:  A flag which if True will create a second chain with 
reversed XH bond
             orientations.
 
-        file:  The name of the PDB file.
-
-        dir:  The directory to place the file into.
-
-        force:  A flag which, if set to 1, will overwrite the file if it 
already exists.
+        force:  A flag which if True will overwrite the file if it already 
exists.
 
 
         Description
@@ -203,9 +203,9 @@
         if self.__relax__.interpreter.intro:
             text = sys.ps3 + "structure.create_vector_dist("
             text = text + "length=" + `length`
-            text = text + ", symmetry=" + `symmetry`
             text = text + ", file=" + `file`
             text = text + ", dir=" + `dir`
+            text = text + ", symmetry=" + `symmetry`
             text = text + ", force=" + `force` + ")"
             print text
 
@@ -213,10 +213,6 @@
         if type(length) != float:
             raise RelaxFloatError, ('vector length', length)
 
-        # The symmetry flag.
-        if type(symmetry) != int or (symmetry != 0 and symmetry != 1):
-            raise RelaxBinError, ('symmetry flag', symmetry)
-
         # File name.
         if type(file) != str:
             raise RelaxStrError, ('file name', file)
@@ -225,9 +221,13 @@
         if dir != None and type(dir) != str:
             raise RelaxNoneStrError, ('directory name', dir)
 
+        # The symmetry flag.
+        if type(symmetry) != bool:
+            raise RelaxBoolError, ('symmetry flag', symmetry)
+
         # 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.
         generic_fns.structure.geometric.create_vector_dist(length=length, 
symmetry=symmetry, file=file, dir=dir, force=force)