Author: bugman
Date: Wed Oct 22 10:47:48 2014
New Revision: 26337
URL: http://svn.gna.org/viewcvs/relax?rev=26337&view=rev
Log:
The structure.load_spins user function now stores the number of states in cdp.N.
This is to help the specific analyses which handle ensembles of structures.
With the introduction
of the from_mols argument to the structure.load_spins user function, the number
of states is now not
equal to the number of structural models, as the states can now come from
different structures of
the same model. Therefore the user function will now explicitly set cdp.N to
the number of states
depending on how the spins were loaded.
Modified:
trunk/pipe_control/structure/main.py
Modified: trunk/pipe_control/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=26337&r1=26336&r2=26337&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py (original)
+++ trunk/pipe_control/structure/main.py Wed Oct 22 10:47:48 2014
@@ -784,6 +784,9 @@
# Print out.
write_spin_data(file=sys.stdout, mol_names=mol_names, res_nums=res_nums,
res_names=res_names, spin_nums=spin_nums, spin_names=spin_names)
+ # Set the number of states for use in the specific analyses.
+ cdp.N = cdp.structure.num_models()
+
def load_spins_multi_mol(spin_id=None, str_id=None, from_mols=None,
mol_name_target=None, ave_pos=False):
"""Load the spins from the structural object into the relax data store.
@@ -902,6 +905,9 @@
# Print out.
write_spin_data(file=sys.stdout, mol_names=mol_names2, res_nums=res_nums2,
res_names=res_names2, spin_names=spin_names2)
+
+ # Set the number of states for use in the specific analyses.
+ cdp.N = len(from_mols)
def mean():
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