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Molecular dynamics by NMR data analysis

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Commit [r25876] Maximize Restore History

Updated all the lib.frame_order.*.pcs_numeric_int_*() functions for the new Sobol' point algorithm.

The functions now all accept the max_points argument and terminate the loop over the Sobol' points
once the maximum number of points has been reached. The calls to numpy.swapaxes() have also been
removed as this is now pre-performed by the target function initialisation.

Authored by: bugman 2014-09-17

Browse code at this revision

Parent: [r25875]

Child: [r25877]

changed	/branches/frame_order_cleanup/lib/frame_order/double_rotor.py
changed	/branches/frame_order_cleanup/lib/frame_order/iso_cone.py
changed	/branches/frame_order_cleanup/lib/frame_order/iso_cone_torsionless.py
changed	/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py
changed	/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py
changed	/branches/frame_order_cleanup/lib/frame_order/rotor.py

relax SVN archive

Molecular dynamics by NMR data analysis

Commit [r25876] Maximize Restore History

/branches/frame_order_cleanup/lib/frame_order/double_rotor.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/iso_cone.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/iso_cone_torsionless.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/rotor.py Diff Switch to side-by-side view