Author: bugman
Date: Wed Apr 9 10:52:46 2008
New Revision: 5473
URL: http://svn.gna.org/viewcvs/relax?rev=5473&view=rev
Log:
Fixes for the SpinContainer.__repr__() method.
This method was fubar!
Modified:
1.3/data/mol_res_spin.py
Modified: 1.3/data/mol_res_spin.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/data/mol_res_spin.py?rev=5473&r1=5472&r2=5473&view=diff
==============================================================================
--- 1.3/data/mol_res_spin.py (original)
+++ 1.3/data/mol_res_spin.py Wed Apr 9 10:52:46 2008
@@ -57,6 +57,134 @@
# Intro.
text = "Class containing all the spin system specific data.\n\n"
+
+ # Objects.
+ text = text + "\n"
+ text = text + "Objects:\n"
+ for name in dir(self):
+ # Skip the SpinContainer methods.
+ if name == 'is_empty':
+ continue
+
+ # Skip special objects.
+ if match("^__", name):
+ continue
+
+ # Add the object's attribute to the text string.
+ text = text + " " + name + ": " + `getattr(self, name)` + "\n"
+
+ return text
+
+
+ def is_empty(self):
+ """Method for testing if this SpinContainer object is empty.
+
+ @return: True if this container is empty and the spin number and
name have not been set,
+ False otherwise.
+ @rtype: bool
+ """
+
+ # The spin number or spin name has been set.
+ if self.num != None or self.name != None:
+ return False
+
+ # An object has been added to the container.
+ for name in dir(self):
+ # Skip the objects initialised in __init__().
+ if name == 'num' or name == 'name' or name == 'select':
+ continue
+
+ # Skip the SpinContainer methods.
+ if name == 'is_empty':
+ continue
+
+ # Skip special objects.
+ if match("^__", name):
+ continue
+
+ # An object has been added.
+ return False
+
+ # The SpinContainer is unmodified.
+ return True
+
+
+class SpinList(list):
+ """List type data container for spin system specific data."""
+
+ def __init__(self):
+ """Set up the first spin system data container."""
+
+ # Add the initial spin system container at index 0.
+ self.append(SpinContainer())
+
+
+ def __repr__(self):
+ """The string representation of the object.
+
+ Rather than using the standard Python conventions (either the string
representation of the
+ value or the "<...desc...>" notation), a rich-formatted description
of the object is given.
+ """
+
+ # Intro.
+ text = "Spin systems.\n\n"
+
+ # Residue data.
+ text = text + "%-8s%-8s%-8s%-10s" % ("Index", "Number", "Name",
"Selected") + "\n"
+ for i in xrange(len(self)):
+ text = text + "%-8i%-8s%-8s%-10s" % (i, `self[i].num`,
self[i].name, self[i].select) + "\n"
+ text = text + "\nThese can be accessed by typing
'D.mol[i].res[j].spin[k]', where D is the relax data storage object.\n"
+
+ return text
+
+
+ def add_item(self, spin_name=None, spin_num=None, select=True):
+ """Function for appending an empty container to the list."""
+
+ # Test if the spin number already exists.
+ for i in xrange(len(self)):
+ if self[i].num == spin_num:
+ raise RelaxError, "The spin number '" + `spin_num` + "'
already exists."
+
+ # If no spin data exists, replace the empty first spin with this
spin.
+ if len(self) == 1 and self[0].is_empty():
+ self[0].num = spin_num
+ self[0].name = spin_name
+ self[0].select = select
+
+ # Append the spin.
+ else:
+ self.append(SpinContainer(spin_name, spin_num, select))
+
+
+
+# The residue data.
+###################
+
+class ResidueContainer(Prototype):
+ """Class containing all the residue specific data."""
+
+ def __init__(self, res_name=None, res_num=None, select=True):
+ """Set up the default objects of the residue data container."""
+
+ # The residue name and number.
+ self.name = res_name
+ self.num = res_num
+ self.select = select
+
+ # The empty spin system list.
+ self.spin = SpinList()
+
+
+ def __repr__(self):
+ """The string representation of the object.
+
+ Rather than using the standard Python conventions (either the string
representation of the
+ value or the "<...desc...>" notation), a rich-formatted description
of the object is given.
+ """
+
+ # Intro.
+ text = "Class containing all the residue specific data.\n"
# Objects.
text = text + "\n"
@@ -76,134 +204,6 @@
return text
- def is_empty(self):
- """Method for testing if this SpinContainer object is empty.
-
- @return: True if this container is empty and the spin number and
name have not been set,
- False otherwise.
- @rtype: bool
- """
-
- # The spin number or spin name has been set.
- if self.num != None or self.name != None:
- return False
-
- # An object has been added to the container.
- for name in dir(self):
- # Skip the objects initialised in __init__().
- if name == 'num' or name == 'name' or name == 'select':
- continue
-
- # Skip the SpinContainer methods.
- if name == 'is_empty':
- continue
-
- # Skip special objects.
- if match("^__", name):
- continue
-
- # An object has been added.
- return False
-
- # The SpinContainer is unmodified.
- return True
-
-
-class SpinList(list):
- """List type data container for spin system specific data."""
-
- def __init__(self):
- """Set up the first spin system data container."""
-
- # Add the initial spin system container at index 0.
- self.append(SpinContainer())
-
-
- def __repr__(self):
- """The string representation of the object.
-
- Rather than using the standard Python conventions (either the string
representation of the
- value or the "<...desc...>" notation), a rich-formatted description
of the object is given.
- """
-
- # Intro.
- text = "Spin systems.\n\n"
-
- # Residue data.
- text = text + "%-8s%-8s%-8s%-10s" % ("Index", "Number", "Name",
"Selected") + "\n"
- for i in xrange(len(self)):
- text = text + "%-8i%-8s%-8s%-10s" % (i, `self[i].num`,
self[i].name, self[i].select) + "\n"
- text = text + "\nThese can be accessed by typing
'D.mol[i].res[j].spin[k]', where D is the relax data storage object.\n"
-
- return text
-
-
- def add_item(self, spin_name=None, spin_num=None, select=True):
- """Function for appending an empty container to the list."""
-
- # Test if the spin number already exists.
- for i in xrange(len(self)):
- if self[i].num == spin_num:
- raise RelaxError, "The spin number '" + `spin_num` + "'
already exists."
-
- # If no spin data exists, replace the empty first spin with this
spin.
- if len(self) == 1 and self[0].is_empty():
- self[0].num = spin_num
- self[0].name = spin_name
- self[0].select = select
-
- # Append the spin.
- else:
- self.append(SpinContainer(spin_name, spin_num, select))
-
-
-
-# The residue data.
-###################
-
-class ResidueContainer(Prototype):
- """Class containing all the residue specific data."""
-
- def __init__(self, res_name=None, res_num=None, select=True):
- """Set up the default objects of the residue data container."""
-
- # The residue name and number.
- self.name = res_name
- self.num = res_num
- self.select = select
-
- # The empty spin system list.
- self.spin = SpinList()
-
-
- def __repr__(self):
- """The string representation of the object.
-
- Rather than using the standard Python conventions (either the string
representation of the
- value or the "<...desc...>" notation), a rich-formatted description
of the object is given.
- """
-
- # Intro.
- text = "Class containing all the residue specific data.\n"
-
- # Objects.
- text = text + "\n"
- text = text + "Objects:\n"
- for name in dir(self):
- # Spin systems.
- if name == 'spin':
- text = text + " spin: The list of spin systems of the
residues\n"
-
- # Skip certain objects.
- if match("^_", name) or name == 'spin':
- continue
-
- # Add the object's attribute to the text string.
- text = text + " " + name + ": " + `getattr(self, name)` + "\n"
-
- return text
-
-
class ResidueList(list):
"""List type data container for residue specific data."""
r5473 - /1.3/data/mol_res_spin.py