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SVN archive Commit Log


Commit Date  
[r18879] by bugman

Fixes for some unit tests of the internal structural object for the changes to the atom_loop().

Single elements are now returned as single elements rather than a tuple of length 1.

2013-03-19 14:08:55 Tree
[r18878] by bugman

Docstring editing of the ScientificPython structural object atom_loop() method.

2013-03-19 14:04:36 Tree
[r18877] by bugman

Added the index_flag argument to all structural API atom_loop() methods.

2013-03-19 14:03:22 Tree
[r18876] by bugman

Created 13 unit tests of the Internal._trim_helix() internal structural object method.

2013-03-19 13:50:58 Tree
[r18875] by bugman

SHEET PDB records are now read, stored, and written out by the internal structural object.

This affects the structure.read_pdb and structure.write_pdb user functions. The sheet is stored as
a metadata type object - its elements do not correspond to the atoms in the structural object.

2013-03-19 12:55:15 Tree
[r18874] by bugman

HELIX PDB records are now read, stored, and written out by the internal structural object.

This affects the structure.read_pdb and structure.write_pdb user functions. The helix is stored as
a metadata type object - its elements do not correspond to the atoms in the structural object.

2013-03-19 12:48:34 Tree
[r18873] by bugman

Fix for the internal structural object _pdb_chain_id_to_mol_index() method.

This was accidentally set to be a method of the MolContainer class and not the internal object.

2013-03-19 10:37:50 Tree
[r18872] by bugman

Created the internal structural object _pdb_chain_id_to_mol_index() method.

This will be used to convert PDB chain IDs, which are used to indicate different molecules in the
PDB, into molecule indices for the internal structural object.

2013-03-19 10:35:11 Tree
[r18871] by bugman

Trailing whitespace removal.

2013-03-19 10:18:15 Tree
[r18870] by bugman

The Structure.test_read_write_pdb_1UBQ system test now checks for HELIX and SHEET records.

This is not implemented yet, but the idea is that the structure.read_pdb and structure.write_pdb
should preserve the helix and sheet information present in the original PDB and that the internal
structural object should store this information.

2013-03-19 10:09:17 Tree
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