Author: bugman
Date: Sun Nov 4 18:53:24 2007
New Revision: 3427
URL: http://svn.gna.org/viewcvs/relax?rev=3427&view=rev
Log:
Created the molecule.copy() user function interface.
Modified:
1.3/prompt/molecule.py
Modified: 1.3/prompt/molecule.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/molecule.py?rev=3427&r1=3426&r2=3427&view=diff
==============================================================================
--- 1.3/prompt/molecule.py (original)
+++ 1.3/prompt/molecule.py Sun Nov 4 18:53:24 2007
@@ -82,50 +82,72 @@
molecule.create(mol_name=mol_name)
- def copy(self, run1=None, run2=None):
- """Function for copying the sequence from run1 to run2.
-
- Keyword Arguments
- ~~~~~~~~~~~~~~~~~
-
- run1: The name of the run to copy the sequence from.
-
- run2: The name of the run to copy the sequence to.
+ def copy(self, pipe_from=None, mol_from=None, pipe_to=None, mol_to=None):
+ """Function for copying all data associated with a molecule.
+
+ Keyword Arguments
+ ~~~~~~~~~~~~~~~~~
+
+ pipe_from: The data pipe containing the molecule from which the
data will be copied. This
+ defaults to the current data pipe.
+
+ mol_from: The molecule identifier string of the molecule to copy
the data from.
+
+ pipe_to: The data pipe to copy the data to. This defaults to the
current data pipe.
+
+ mol_to: The molecule identifier string of the molecule to copy the
data to.
Description
~~~~~~~~~~~
- This function will copy the sequence from 'run1' to 'run2'. 'run1'
must contain sequence
- information, while 'run2' must have no sequence loaded.
+ This function will copy all the data associated with a molecule to a
second molecule. This
+ includes residue and spin system information. The new molecule must
not yet exist.
Examples
~~~~~~~~
- To copy the sequence from the run 'm1' to the run 'm2', type:
-
- relax> sequence.copy('m1', 'm2')
- relax> sequence.copy(run1='m1', run2='m2')
- """
-
- # Function intro text.
- if self.__relax__.interpreter.intro:
- text = sys.ps3 + "sequence.copy("
- text = text + "run1=" + `run1`
- text = text + ", run2=" + `run2` + ")"
- print text
-
- # The run1 argument.
- if type(run1) != str:
- raise RelaxStrError, ('run1', run1)
-
- # The run2 argument.
- if type(run2) != str:
- raise RelaxStrError, ('run2', run2)
-
- # Execute the functional code.
- self.__relax__.generic.sequence.copy(run1=run1, run2=run2)
+ To copy the molecule data from the molecule 'GST' to the new
molecule 'wt-GST', type:
+
+ relax> molecule.copy('#GST', '#wt-GST')
+ relax> molecule.copy(mol_from='#GST', mol_to='#wt-GST')
+
+
+ To copy the molecule data of the molecule 'Ap4Aase' from the data
pipe 'm1' to 'm2', assuming the current
+ data pipe is 'm1', type:
+
+ relax> molecule.copy(mol_from='#ApAase', pipe_to='m2')
+ relax> molecule.copy(pipe_from='m1', mol_from='#ApAase',
pipe_to='m2', mol_to='#ApAase')
+ """
+
+ # Function intro text.
+ if self.__relax__.interpreter.intro:
+ text = sys.ps3 + "molecule.copy("
+ text = text + "pipe_from=" + `pipe_from`
+ text = text + "mol_from=" + `mol_from`
+ text = text + "pipe_to=" + `pipe_to`
+ text = text + ", mol_to=" + `mol_to` + ")"
+ print text
+
+ # The pipe_from argument.
+ if type(pipe_from) != str:
+ raise RelaxStrError, ('data pipe from', pipe_from)
+
+ # The molecule from argument.
+ if type(mol_from) != str:
+ raise RelaxStrError, ('molecule from', mol_from)
+
+ # The pipe_to argument.
+ if type(pipe_to) != str:
+ raise RelaxStrError, ('data pipe to', pipe_to)
+
+ # The molecule to argument.
+ if type(mol_to) != str:
+ raise RelaxStrError, ('molecule to', mol_to)
+
+ # Execute the functional code.
+ molecule.copy(pipe_from=pipe_from, mol_from=mol_from,
pipe_to=pipe_to, mol_to=mol_to)
def delete(self, res_id=None):
r3427 - /1.3/prompt/molecule.py