Author: bugman
Date: Mon Oct 17 13:59:57 2011
New Revision: 14873
URL: http://svn.gna.org/viewcvs/relax?rev=14873&view=rev
Log:
Added the bc flag to the RDC and PCS display and write user function
front-ends.
This This will allow the back-calculated data to be displayed or written
rather than the measured
values.
Modified:
1.3/prompt/pcs.py
1.3/prompt/rdc.py
Modified: 1.3/prompt/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/pcs.py?rev=14873&r1=14872&r2=14873&view=diff
==============================================================================
--- 1.3/prompt/pcs.py (original)
+++ 1.3/prompt/pcs.py Mon Oct 17 13:59:57 2011
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2003-2005,2007-2010 Edward d'Auvergne
#
+# Copyright (C) 2003-2011 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -237,7 +237,7 @@
pcs.delete(align_id=align_id)
- def display(self, align_id=None):
+ def display(self, align_id=None, bc=False):
"""Display the PCS data corresponding to the alignment ID.
Keyword Arguments
@@ -245,6 +245,8 @@
align_id: The alignment ID string.
+ bc: A flag which if set will display the back-calculated rather
than measured RDCs.
+
Examples
~~~~~~~~
@@ -257,14 +259,16 @@
# Function intro text.
if self._exec_info.intro:
text = self._exec_info.ps3 + "pcs.display("
- text = text + "align_id=" + repr(align_id) + ")"
- print(text)
-
- # The argument checks.
- arg_check.is_str(align_id, 'alignment ID string')
-
- # Execute the functional code.
- pcs.display(align_id=align_id)
+ text = text + "align_id=" + repr(align_id)
+ text = text + ", bc=" + repr(bc) + ")"
+ print(text)
+
+ # The argument checks.
+ arg_check.is_str(align_id, 'alignment ID string')
+ arg_check.is_bool(bc, 'back-calculation flag')
+
+ # Execute the functional code.
+ pcs.display(align_id=align_id, bc=bc)
def read(self, align_id=None, file=None, dir=None, spin_id_col=None,
mol_name_col=None, res_num_col=None, res_name_col=None, spin_num_col=None,
spin_name_col=None, data_col=None, error_col=None, sep=None, spin_id=None):
@@ -403,7 +407,7 @@
pcs.weight(align_id=align_id, spin_id=spin_id, weight=weight)
- def write(self, align_id=None, file=None, dir=None, force=False):
+ def write(self, align_id=None, file=None, dir=None, bc=False,
force=False):
"""Write the PCS data to file.
Keyword Arguments
@@ -414,6 +418,8 @@
file: The name of the file.
dir: The directory name.
+
+ bc: A flag which if set will write out the back-calculated rather
than measured RDCs.
force: A flag which if True will cause the file to be overwritten.
@@ -431,6 +437,7 @@
text = text + "align_id=" + repr(align_id)
text = text + ", file=" + repr(file)
text = text + ", dir=" + repr(dir)
+ text = text + ", bc=" + repr(bc)
text = text + ", force=" + repr(force) + ")"
print(text)
@@ -438,7 +445,8 @@
arg_check.is_str(align_id, 'alignment ID string')
arg_check.is_str(file, 'file name')
arg_check.is_str(dir, 'directory name', can_be_none=True)
+ arg_check.is_bool(bc, 'back-calculation flag')
arg_check.is_bool(force, 'force flag')
# Execute the functional code.
- pcs.write(align_id=align_id, file=file, dir=dir, force=force)
+ pcs.write(align_id=align_id, file=file, dir=dir, bc=bc, force=force)
Modified: 1.3/prompt/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/rdc.py?rev=14873&r1=14872&r2=14873&view=diff
==============================================================================
--- 1.3/prompt/rdc.py (original)
+++ 1.3/prompt/rdc.py Mon Oct 17 13:59:57 2011
@@ -237,7 +237,7 @@
rdc.delete(align_id=align_id)
- def display(self, align_id=None):
+ def display(self, align_id=None, bc=False):
"""Display the RDC data corresponding to the alignment ID.
Keyword Arguments
@@ -245,6 +245,8 @@
align_id: The alignment ID string.
+ bc: A flag which if set will display the back-calculated rather
than measured RDCs.
+
Examples
~~~~~~~~
@@ -257,14 +259,16 @@
# Function intro text.
if self._exec_info.intro:
text = self._exec_info.ps3 + "rdc.display("
- text = text + "align_id=" + repr(align_id) + ")"
+ text = text + "align_id=" + repr(align_id)
+ text = text + ", bc=" + repr(bc) + ")"
print(text)
# The argument checks.
arg_check.is_str(align_id, 'alignment ID string')
-
- # Execute the functional code.
- rdc.display(align_id=align_id)
+ arg_check.is_bool(bc, 'back-calculation flag')
+
+ # Execute the functional code.
+ rdc.display(align_id=align_id, bc=bc)
def read(self, align_id=None, file=None, dir=None, data_type='D',
spin_id_col=None, mol_name_col=None, res_num_col=None, res_name_col=None,
spin_num_col=None, spin_name_col=None, data_col=None, error_col=None,
sep=None, spin_id=None, neg_g_corr=False):
@@ -430,7 +434,7 @@
rdc.weight(align_id=align_id, spin_id=spin_id, weight=weight)
- def write(self, align_id=None, file=None, dir=None, force=False):
+ def write(self, align_id=None, file=None, dir=None, bc=False,
force=False):
"""Write the RDC data to file.
Keyword Arguments
@@ -441,6 +445,8 @@
file: The name of the file.
dir: The directory name.
+
+ bc: A flag which if set will write out the back-calculated rather
than measured RDCs.
force: A flag which if True will cause the file to be overwritten.
@@ -458,6 +464,7 @@
text = text + "align_id=" + repr(align_id)
text = text + ", file=" + repr(file)
text = text + ", dir=" + repr(dir)
+ text = text + ", bc=" + repr(bc)
text = text + ", force=" + repr(force) + ")"
print(text)
@@ -465,7 +472,8 @@
arg_check.is_str(align_id, 'alignment ID string')
arg_check.is_str(file, 'file name')
arg_check.is_str(dir, 'directory name', can_be_none=True)
+ arg_check.is_bool(bc, 'back-calculation flag')
arg_check.is_bool(force, 'force flag')
# Execute the functional code.
- rdc.write(align_id=align_id, file=file, dir=dir, force=force)
+ rdc.write(align_id=align_id, file=file, dir=dir, bc=bc, force=force)
r14873 - in /1.3/prompt: pcs.py rdc.py