Author: bugman
Date: Wed Feb 8 15:35:41 2012
New Revision: 15327
URL: http://svn.gna.org/viewcvs/relax?rev=15327&view=rev
Log:
Merged revisions 15326 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r15326 | bugman | 2012-02-08 15:33:34 +0100 (Wed, 08 Feb 2012) | 5 lines
Implemented the rdc.delete and pcs.delete user function backends.
This code previously did not exist, although the front ends were exposed to
the user!
........
Modified:
branches/frame_order_testing/ (props changed)
branches/frame_order_testing/generic_fns/pcs.py
branches/frame_order_testing/generic_fns/rdc.py
branches/frame_order_testing/prompt/pcs.py
branches/frame_order_testing/prompt/rdc.py
Propchange: branches/frame_order_testing/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Wed Feb 8 15:35:41 2012
@@ -1,1 +1,1 @@
-/1.3:1-15322
+/1.3:1-15326
Modified: branches/frame_order_testing/generic_fns/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/generic_fns/pcs.py?rev=15327&r1=15326&r2=15327&view=diff
==============================================================================
--- branches/frame_order_testing/generic_fns/pcs.py (original)
+++ branches/frame_order_testing/generic_fns/pcs.py Wed Feb 8 15:35:41 2012
@@ -24,6 +24,7 @@
"""Module for the manipulation of pseudocontact shift data."""
# Python module imports.
+from copy import deepcopy
from math import pi, sqrt
from numpy import array, float64, ones, zeros
from numpy.linalg import norm
@@ -313,6 +314,54 @@
# The main data.
grace.write_xy_data(data=data, file=file, graph_type=graph_type)
+
+
+def delete(align_id=None):
+ """Delete the PCS data corresponding to the alignment ID.
+
+ @keyword align_id: The alignment tensor ID string. If not specified,
all data will be deleted.
+ @type align_id: str or None
+ """
+
+ # Test if the current data pipe exists.
+ pipes.test()
+
+ # Test if sequence data exists.
+ if not exists_mol_res_spin_data():
+ raise RelaxNoSequenceError
+
+ # Check that the ID exists.
+ if align_id and not align_id in cdp.pcs_ids:
+ raise RelaxError("The PCS alignment id '%s' does not exist" %
align_id)
+
+ # The IDs.
+ if not align_id:
+ ids = deepcopy(cdp.pcs_ids)
+ else:
+ ids = [align_id]
+
+ # Loop over the alignments, removing all the corresponding data.
+ for id in ids:
+ # The PCS ID.
+ cdp.pcs_ids.pop(cdp.pcs_ids.index(id))
+
+ # The data type.
+ if hasattr(cdp, 'pcs_data_types') and cdp.pcs_data_types.has_key(id):
+ cdp.pcs_data_types.pop(id)
+
+ # The spin data.
+ for spin in spin_loop():
+ # The data.
+ if hasattr(spin, 'pcs') and spin.pcs.has_key(id):
+ spin.pcs.pop(id)
+
+ # The error.
+ if hasattr(spin, 'pcs_err') and spin.pcs_err.has_key(id):
+ spin.pcs_err.pop(id)
+
+ # Clean the global data.
+ if not hasattr(cdp, 'rdc_ids') or id not in cdp.rdc_ids:
+ cdp.align_ids.pop(id)
def display(align_id=None, bc=False):
Modified: branches/frame_order_testing/generic_fns/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/generic_fns/rdc.py?rev=15327&r1=15326&r2=15327&view=diff
==============================================================================
--- branches/frame_order_testing/generic_fns/rdc.py (original)
+++ branches/frame_order_testing/generic_fns/rdc.py Wed Feb 8 15:35:41 2012
@@ -24,6 +24,7 @@
"""Module for the manipulation of RDC data."""
# Python module imports.
+from copy import deepcopy
from math import pi, sqrt
from numpy import float64, ones, zeros
from numpy.linalg import norm
@@ -240,6 +241,54 @@
# The main data.
grace.write_xy_data(data=data, file=file, graph_type=graph_type)
+
+
+def delete(align_id=None):
+ """Delete the RDC data corresponding to the alignment ID.
+
+ @keyword align_id: The alignment tensor ID string. If not specified,
all data will be deleted.
+ @type align_id: str or None
+ """
+
+ # Test if the current data pipe exists.
+ pipes.test()
+
+ # Test if sequence data exists.
+ if not exists_mol_res_spin_data():
+ raise RelaxNoSequenceError
+
+ # Check that the ID exists.
+ if align_id and not align_id in cdp.rdc_ids:
+ raise RelaxError("The RDC alignment id '%s' does not exist" %
align_id)
+
+ # The IDs.
+ if not align_id:
+ ids = deepcopy(cdp.rdc_ids)
+ else:
+ ids = [align_id]
+
+ # Loop over the alignments, removing all the corresponding data.
+ for id in ids:
+ # The RDC ID.
+ cdp.rdc_ids.pop(cdp.rdc_ids.index(id))
+
+ # The data type.
+ if hasattr(cdp, 'rdc_data_types') and cdp.rdc_data_types.has_key(id):
+ cdp.rdc_data_types.pop(id)
+
+ # The spin data.
+ for spin in spin_loop():
+ # The data.
+ if hasattr(spin, 'rdc') and spin.rdc.has_key(id):
+ spin.rdc.pop(id)
+
+ # The error.
+ if hasattr(spin, 'rdc_err') and spin.rdc_err.has_key(id):
+ spin.rdc_err.pop(id)
+
+ # Clean the global data.
+ if not hasattr(cdp, 'pcs_ids') or id not in cdp.pcs_ids:
+ cdp.align_ids.pop(id)
def display(align_id=None, bc=False):
Modified: branches/frame_order_testing/prompt/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/prompt/pcs.py?rev=15327&r1=15326&r2=15327&view=diff
==============================================================================
--- branches/frame_order_testing/prompt/pcs.py (original)
+++ branches/frame_order_testing/prompt/pcs.py Wed Feb 8 15:35:41 2012
@@ -231,7 +231,7 @@
print(text)
# The argument checks.
- arg_check.is_str(align_id, 'alignment ID string')
+ arg_check.is_str(align_id, 'alignment ID string', can_be_none=True)
# Execute the functional code.
pcs.delete(align_id=align_id)
Modified: branches/frame_order_testing/prompt/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/prompt/rdc.py?rev=15327&r1=15326&r2=15327&view=diff
==============================================================================
--- branches/frame_order_testing/prompt/rdc.py (original)
+++ branches/frame_order_testing/prompt/rdc.py Wed Feb 8 15:35:41 2012
@@ -231,7 +231,7 @@
print(text)
# The argument checks.
- arg_check.is_str(align_id, 'alignment ID string')
+ arg_check.is_str(align_id, 'alignment ID string', can_be_none=True)
# Execute the functional code.
rdc.delete(align_id=align_id)
r15327 - in /branches/frame_order_testing: ./ generic_fns/pcs.py generic_fns/rdc.py prompt/pcs.py prompt/rdc.py