r7259 - /1.3/generic_fns/mol_res_spin.py -- September 24, 2008 - 18:46

Author: bugman
Date: Wed Sep 24 18:46:03 2008
New Revision: 7259

URL: http://svn.gna.org/viewcvs/relax?rev=7259&view=rev
Log:
Wrote the count_molecules() and count_residues() functions.


Modified:
    1.3/generic_fns/mol_res_spin.py

Modified: 1.3/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/mol_res_spin.py?rev=7259&r1=7258&r2=7259&view=diff
==============================================================================
--- 1.3/generic_fns/mol_res_spin.py (original)
+++ 1.3/generic_fns/mol_res_spin.py Wed Sep 24 18:46:03 2008
@@ -723,6 +723,54 @@
 
     # Return the number of spins.
     return spin_num
+
+
+def count_molecules(selection=None):
+    """Count the number of molecules for which there is data.
+
+    @param selection:   The selection string.
+    @type selection:    str
+    @return:            The number of non-empty molecules.
+    @rtype:             int
+    """
+
+    # No data, hence no molecules.
+    if not exists_mol_res_spin_data():
+        return 0
+
+    # Init.
+    mol_num = 0
+
+    # Spin loop.
+    for mol in molecule_loop(selection):
+        mol_num = mol_num + 1
+
+    # Return the number of molecules.
+    return mol_num
+
+
+def count_residues(selection=None):
+    """Count the number of residues for which there is data.
+
+    @param selection:   The selection string.
+    @type selection:    str
+    @return:            The number of non-empty residues.
+    @rtype:             int
+    """
+
+    # No data, hence no residues.
+    if not exists_mol_res_spin_data():
+        return 0
+
+    # Init.
+    res_num = 0
+
+    # Spin loop.
+    for res in residue_loop(selection):
+        res_num = res_num + 1
+
+    # Return the number of residues.
+    return res_num
 
 
 def count_spins(selection=None):