Author: macraild
Date: Wed Mar 15 15:46:24 2006
New Revision: 2389
URL: http://svn.gna.org/viewcvs/relax?rev=2389&view=rev
Log:
bugfix for bug#5501
Modified:
1.2/data.py
1.2/generic_fns/selection.py
1.2/generic_fns/sequence.py
Modified: 1.2/data.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/data.py?rev=2389&r1=2388&r2=2389&view=diff
==============================================================================
--- 1.2/data.py (original)
+++ 1.2/data.py Wed Mar 15 15:46:24 2006
@@ -182,4 +182,71 @@
def add_item(self):
"""Function for appending an empty container to the list."""
- self.append(Element())
+ self.append(ResidueElement())
+
+
+class ResidueElement(object):
+ def __init__(self):
+ """Empty container for residue specific data for a single residue."""
+
+ self.userSelect = 1
+
+
+ def autoSelect(self):
+ """Function to automatically deselect residues lacking relax_data"""
+
+ if not hasattr(self, 'relax_data'):
+ return 0
+
+ if hasattr(self, 'params'):
+ if len(self.params) < len(self.relax_data):
+ return 0
+
+ return 1
+
+
+ def __getattr__(self, name):
+ """Force on-the-fly evaluation of select every time it is
referenced"""
+
+ # The list of data maps.
+ if name == 'select':
+ return (self.autoSelect() and self.userSelect)
+ raise AttributeError, name
+
+
+ def __repr__(self):
+ # Header.
+ text = "%-25s%-100s\n\n" % ("Data structure", "Value")
+
+ # Data structures.
+ for name in dir(self):
+ if match("^__", name):
+ continue
+ if name == 'autoSelect' or name == 'userSelect':
+ continue
+ text = text + "%-25s%-100s\n" % (name, `getattr(self, name)`)
+
+ text = text + "%-25s%-100s\n" % ('select', `getattr(self, 'select')`)
+
+ # Return the lot.
+ return text
+
+
+ def __setattr__(self, name, value):
+ """Prevent accidental rebinding of select."""
+
+ # The list of prescribed attributes.
+ dontRebind = ['select', 'autoSelect']
+ if name in dontRebind:
+
+ # Allow initial binding of the attribute.
+ if not hasattr(self, name):
+ self.__dict__[name] = value
+
+ # But prevent rebinding.
+ else:
+ raise AttributeError, """Can't rebind automated residue
selection. Use userSelect instead (do select.res())"""
+
+ # Normal behaviour for attributes not in list.
+ self.__dict__[name] = value
+
Modified: 1.2/generic_fns/selection.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/generic_fns/selection.py?rev=2389&r1=2388&r2=2389&view=diff
==============================================================================
--- 1.2/generic_fns/selection.py (original)
+++ 1.2/generic_fns/selection.py Wed Mar 15 15:46:24 2006
@@ -53,10 +53,10 @@
data = self.relax.data.res[self.run][i]
# Reverse the selection.
- if data.select:
- data.select = 0
+ if data.userSelect:
+ data.userSelect = 0
else:
- data.select = 1
+ data.userSelect = 1
def sel_all(self, run=None):
@@ -77,7 +77,7 @@
# Loop over the sequence and set the selection flag to 1.
for i in xrange(len(self.relax.data.res[self.run])):
- self.relax.data.res[self.run][i].select = 1
+ self.relax.data.res[self.run][i].userSelect = 1
def sel_read(self, run=None, file=None, dir=None, change_all=None):
@@ -118,11 +118,11 @@
# Unselect all residues.
if change_all:
- data.select = 0
+ data.userSelect = 0
# Select the residue if it is in the list select.
if data.num in select:
- data.select = 1
+ data.userSelect = 1
# Match flag.
no_match = 0
@@ -170,7 +170,7 @@
# Unselect all residues.
if change_all:
- data.select = 0
+ data.userSelect = 0
# Skip the residue if there is no match to 'num'.
if type(num) == int:
@@ -186,7 +186,7 @@
continue
# Select the residue.
- data.select = 1
+ data.userSelect = 1
# Match flag.
no_match = 0
@@ -214,7 +214,7 @@
# Loop over the sequence and set the selection flag to 0.
for i in xrange(len(self.relax.data.res[self.run])):
- self.relax.data.res[self.run][i].select = 0
+ self.relax.data.res[self.run][i].userSelect = 0
def unsel_read(self, run=None, file=None, dir=None, change_all=None):
@@ -255,11 +255,11 @@
# Select all residues.
if change_all:
- data.select = 1
+ data.userSelect = 1
# Unselect the residue if it is in the list unselect.
if data.num in unselect:
- data.select = 0
+ data.userSelect = 0
# Match flag.
no_match = 0
@@ -307,7 +307,7 @@
# Select all residues.
if change_all:
- data.select = 1
+ data.userSelect = 1
# Skip the residue if there is no match to 'num'.
if type(num) == int:
@@ -323,7 +323,7 @@
continue
# Unselect the residue.
- data.select = 0
+ data.userSelect = 0
# Match flag.
no_match = 0
Modified: 1.2/generic_fns/sequence.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/generic_fns/sequence.py?rev=2389&r1=2388&r2=2389&view=diff
==============================================================================
--- 1.2/generic_fns/sequence.py (original)
+++ 1.2/generic_fns/sequence.py Wed Mar 15 15:46:24 2006
@@ -54,7 +54,7 @@
# Insert the data.
self.relax.data.res[run][index].num = res_num
self.relax.data.res[run][index].name = res_name
- self.relax.data.res[run][index].select = select
+ self.relax.data.res[run][index].userSelect = select
def copy(self, run1=None, run2=None):
@@ -87,7 +87,7 @@
# Insert the data.
self.relax.data.res[run2][i].num =
self.relax.data.res[run1][i].num
self.relax.data.res[run2][i].name =
self.relax.data.res[run1][i].name
- self.relax.data.res[run2][i].select =
self.relax.data.res[run1][i].select
+ self.relax.data.res[run2][i].userSelect =
self.relax.data.res[run1][i].userSelect
def data_names(self):
@@ -156,7 +156,7 @@
# Insert the data.
self.relax.data.res[run][i].num = res[i].number
self.relax.data.res[run][i].name = res[i].name
- self.relax.data.res[run][i].select = 1
+ #self.relax.data.res[run][i].select = 1
def read(self, run=None, file=None, dir=None, num_col=0, name_col=1,
sep=None):
@@ -211,7 +211,7 @@
# Insert the data.
self.relax.data.res[run][i].num = int(file_data[i][num_col])
self.relax.data.res[run][i].name = file_data[i][name_col]
- self.relax.data.res[run][i].select = 1
+ #self.relax.data.res[run][i].select = 1
def sort(self, run=None):
r2389 - in /1.2: data.py generic_fns/selection.py generic_fns/sequence.py