relax SVN archive

Molecular dynamics by NMR data analysis

Brought to you by: edauvergne, troelslinnet

Commit [r23979] Maximize Restore History

Fixes for all PCS numeric integration for all frame order models in the rigid case.

The exact PCS values for the rigid state are now correctly calculated when no Sobol' points lie
within the motional model. The identity matrix is used to set the rotation to zero, and the PCS
values are now multiplied by the constant.

Authored by: bugman 2014-06-16

Browse code at this revision

Parent: [r23978]

Child: [r23980]

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 [r23979] 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