Spin loop - Revision history

Tlinnet at 06:26, 16 October 2017

2017-10-16T06:26:26Z

2015-10-19T18:13:00Z

Changed the section ordering to be more logical - the spin loop now comes first.

2015-10-19T18:10:11Z

Added an intro sentence.

2013-06-18T20:49:00Z

Looping over cdp

2013-06-18T20:47:59Z

Looping over cdp

2013-06-18T20:47:50Z

Looping over cdp

2013-06-18T20:46:54Z

Looping over cdp

2013-06-18T20:41:02Z

2013-06-17T14:10:22Z

Looping over cdp

2013-06-17T14:09:45Z

Looping

@@ Line 11: / Line 11: @@
 <source lang="python">
 from pipe_control.mol_res_spin import spin_loop
-for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
+for cur_spin, cur_spin_id in spin_loop(return_id=True, skip_desel=True):
-     print("Spin '%s', model '%s'" % (spin_id, spin.model))
+     print("Spin '%s', model '%s'" % (cur_spin_id, cur_spin.model))
 </source>

@@ Line 7: / Line 7: @@
 # Looking at the cdp.mol[i].res[j].spin[k] data structure.
 === Looping over cdp ===
@@ Line 63: / Line 82: @@
    warning_sim: [None, None, None]
 </source>

← Older revision		Revision as of 18:10, 19 October 2015
Line 1:		Line 1:
		+	The spin loop is a powerful concept built into the relax data model for allowing for programmatic access to the spin system information for power users.
		+
		+
	== View results per spin ==		== View results per spin ==
	# Looking at the contents of the '''spin viewer''' window in the GUI,		# Looking at the contents of the '''spin viewer''' window in the GUI,

@@ Line 9: / Line 9: @@
 print cdp.mol
 for resiob in cdp.mol[0].res:
-     print resiob.name, resiob.num, resiob.spin[0].kex
+     print resiob.name, resiob.num, resiob.spin[0].kex, resiob.spin[0].model
 print dir(resiob)

@@ Line 9: / Line 9: @@
 print cdp.mol
 for resiob in cdp.mol[0].res:
-     print resiob.name, resiob.num, resiob.spin[0].kez
+     print resiob.name, resiob.num, resiob.spin[0].kex
 print dir(resiob)

@@ Line 16: / Line 16: @@
 '__subclasshook__', '__weakref__', '_mol_index', '_mol_name', '_res_index', '_spin_name_count', '_spin_num_count',
 'is_empty', 'name', 'num', 'spin']
 </source>