Author: bugman Date: Tue May 20 11:01:34 2008 New Revision: 6141 URL: http://svn.gna.org/viewcvs/relax?rev=6141&view=rev Log: Started the conversion of the internal relax structural object to be independent of the PDB format. Modified: 1.3/generic_fns/structure/internal_pdb.py Modified: 1.3/generic_fns/structure/internal_pdb.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/internal_pdb.py?rev=6141&r1=6140&r2=6141&view=diff ============================================================================== --- 1.3/generic_fns/structure/internal_pdb.py (original) +++ 1.3/generic_fns/structure/internal_pdb.py Tue May 20 11:01:34 2008 @@ -21,7 +21,7 @@ ############################################################################### # Module docstring. -"""Module containing a relax specific PDB structural object.""" +"""Module containing the internal relax structural object.""" # relax module imports. @@ -30,8 +30,8 @@ -class Internal_PDB(Base_struct_API): - """The internal relax PDB data object. +class Internal(Base_struct_API): + """The internal relax structural data object. The structural data object for this class is a dictionary of arrays. The keys correspond to the 'atom_id' strings. The elements of the array are: @@ -52,11 +52,11 @@ """ # Identification string. - id = 'internal pdb' + id = 'internal' def __init__(self): - """Initialise the PDB object.""" + """Initialise the structural object.""" # Reinitialise the data object to an empty dictionary. self.structural_data = {} @@ -164,8 +164,8 @@ This method will find the atom number corresponding to both the atom_id and bonded_id. The bonded_id atom number will then be appended to the atom_id array. Because the - connections work both ways in the PDB file, the atom_id atom number will be appended to the - bonded_id atom array as well. + connections work both ways, the atom_id atom number will be appended to the bonded_id atom + array as well. @param atom_id: The atom identifier. This is used as the key within the dictionary.