relax SVN archive

Molecular dynamics by NMR data analysis

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Commit [r25979] Maximize Restore History

Converted all structural object methods to use the selection object rather that atom ID strings.

This should have a significant impact on the speed of certain operations within relax. The most
obvious effect will be a huge speed up of the interatom.define user function. There should be speed
ups with a number of other user functions relating to structural information. All parts of relax
have been updated for the change.

Authored by: bugman 2014-09-23

Browse code at this revision

Parent: [r25978]

Child: [r25980]

changed	/trunk/lib/structure/internal/object.py
changed	/trunk/pipe_control/interatomic.py
changed	/trunk/pipe_control/structure/main.py
changed	/trunk/pipe_control/structure/mass.py
changed	/trunk/test_suite/unit_tests/_pipe_control/_structure/test_internal.py

relax SVN archive

Molecular dynamics by NMR data analysis

Commit [r25979] Maximize Restore History

/trunk/lib/structure/internal/object.py Diff Switch to side-by-side view

/trunk/pipe_control/interatomic.py Diff Switch to side-by-side view

/trunk/pipe_control/structure/main.py Diff Switch to side-by-side view

/trunk/pipe_control/structure/mass.py Diff Switch to side-by-side view

/trunk/test_suite/unit_tests/_pipe_control/_structure/test_internal.py Diff Switch to side-by-side view