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Molecular dynamics by NMR data analysis

Brought to you by: edauvergne, troelslinnet

Commit [r16964] Maximize Restore History

The Mf.test_dauvergne_protocol system test now passes with the new interatomic data container design!

This involves lots of changes to the model-free specific code, the dauvergne_protocol auto-analysis,
and modification of the checks in the system test for the additional proton spin containers.

Authored by: bugman 2012-06-19

Browse code at this revision

Parent: [r16963]

Child: [r16965]

changed	/branches/interatomic/auto_analyses/dauvergne_protocol.py
changed	/branches/interatomic/specific_fns/model_free/bmrb.py
changed	/branches/interatomic/specific_fns/model_free/macro_base.py
changed	/branches/interatomic/specific_fns/model_free/main.py
changed	/branches/interatomic/specific_fns/model_free/mf_minimise.py
changed	/branches/interatomic/specific_fns/model_free/results.py
changed	/branches/interatomic/test_suite/system_tests/model_free.py

relax SVN archive

Molecular dynamics by NMR data analysis

Commit [r16964] Maximize Restore History

/branches/interatomic/auto_analyses/dauvergne_protocol.py Diff Switch to side-by-side view

/branches/interatomic/specific_fns/model_free/bmrb.py Diff Switch to side-by-side view

/branches/interatomic/specific_fns/model_free/macro_base.py Diff Switch to side-by-side view

/branches/interatomic/specific_fns/model_free/main.py Diff Switch to side-by-side view

/branches/interatomic/specific_fns/model_free/mf_minimise.py Diff Switch to side-by-side view

/branches/interatomic/specific_fns/model_free/results.py Diff Switch to side-by-side view

/branches/interatomic/test_suite/system_tests/model_free.py Diff Switch to side-by-side view