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SVN archive Commit Log


Commit Date  
[r5842] by bugman

Started to recode the vectors() function.

The structural API atom_loop() approach is completely wrong, so the spin_loop() will be used
instead.

2008-04-20 12:30:59 Tree
[r5841] by bugman

The full spin info is now returned from return_spin() and the modified spins written to stdout.

2008-04-20 11:36:54 Tree
[r5840] by bugman

Added the full_info flag arg to return_spin() to allow more info to be returned when desired.

This flag will cause the molecule name, residue number and residue name to be returned in addition
to the spin container.

2008-04-20 11:32:46 Tree
[r5839] by bugman

Deleted the xh_vector() method from the API base class and Scientific Python PDB data object.

2008-04-20 11:27:34 Tree
[r5838] by bugman

Shifted the XH vector calculation from the xh_vector() structural API method to the vector() fn.

This calculation can be done independently from the type of the structural data object.

2008-04-20 11:26:25 Tree
[r5837] by bugman

The generate_spin_id() fn is now being called by the vectors() fn.

2008-04-20 10:55:22 Tree
[r5836] by bugman

The generate_spin_id_data_array() fn is now called in the read() method.

2008-04-20 10:54:02 Tree
[r5835] by bugman

Fixed the call to generate_spin_id() in the return_spin_from_index() function.

2008-04-20 10:52:51 Tree
[r5834] by bugman

Renamed generate_spin_id() to generate_spin_id_data_array(), and created a new generate_spin_id().

The generate_spin_id_data_array() function generates the spin_id string from a data array whereas
generate_spin_id() generates the spin_id string from the argument values passed into it.

2008-04-20 10:51:34 Tree
[r5833] by bugman

Added the structural API atom_loop() call to the vectors() function.

2008-04-20 10:45:08 Tree
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