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Merged revisions 11087-11099 via svnmerge from

svn+ssh://michaelbieri@.../svn/relax/1.3

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r11087 | bugman | 2010-04-20 19:44:35 +1000 (Die, 20 Apr 2010) | 5 lines

Added some calls to value.display() and value.write().

This demonstrates the failure of these user functions!
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r11088 | bugman | 2010-04-20 19:46:14 +1000 (Die, 20 Apr 2010) | 5 lines

Fix for 3 of the 'value' user functions.

These were calling the non-existent self.__relax__.
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r11089 | bugman | 2010-04-20 19:47:52 +1000 (Die, 20 Apr 2010) | 5 lines

Fix for the molmol.clear_history() user function.

This was calling the non-existent self.__relax__ structure.
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r11090 | bugman | 2010-04-20 21:49:47 +1000 (Die, 20 Apr 2010) | 3 lines

Wrote the back end for the rdc.display() and rdc.write() user functions.
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r11091 | bugman | 2010-04-20 22:42:53 +1000 (Die, 20 Apr 2010) | 3 lines

Wrote the back end for the pcs.display() and pcs.write() user functions.
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r11092 | bugman | 2010-04-21 19:00:41 +1000 (Mit, 21 Apr 2010) | 3 lines

Added 2 system tests for alignment tensor optimisation using DNA PCS data.
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r11093 | bugman | 2010-04-21 20:22:09 +1000 (Mit, 21 Apr 2010) | 5 lines

Clean up of the RDC and PCS modules.

All the residual code from the relax_data module has been eliminated.
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r11094 | bugman | 2010-04-21 22:22:15 +1000 (Mit, 21 Apr 2010) | 5 lines

Added a call to pcs.display() in the DNA PCS system test.

This is to test out the operation of this user function.
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r11095 | bugman | 2010-04-21 23:37:04 +1000 (Mit, 21 Apr 2010) | 3 lines

Fix for the RDC and PCS display() and write() user functions for when no errors exist.
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r11096 | bugman | 2010-04-21 23:38:59 +1000 (Mit, 21 Apr 2010) | 5 lines

Docstring fix for the read() function.

This is the PCS, not RDC.
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r11097 | bugman | 2010-04-21 23:39:50 +1000 (Mit, 21 Apr 2010) | 3 lines

Removal of a few unused imports.
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r11098 | bugman | 2010-04-22 01:52:06 +1000 (Don, 22 Apr 2010) | 5 lines

Added calls to rdc.display() and pcs.display() to the lactose N-state model system test.

This adds more checks for these user functions.
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r11099 | bugman | 2010-04-22 03:14:32 +1000 (Don, 22 Apr 2010) | 5 lines

Converted the spin RDC and PCS data structures to dictionaries using align_id as a key.

This is a big structural update which solves many problems with incomplete data.
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michaelbieri 2010-04-22

copied /1.3/test_suite/shared_data/pcs_data -> /branches/bieri_gui/test_suite/shared_data/pcs_data
copied /1.3/test_suite/shared_data/structures/dna -> /branches/bieri_gui/test_suite/shared_data/structures/dna
copied /1.3/test_suite/system_tests/scripts/n_state_model/dna_pcs_fit.py -> /branches/bieri_gui/test_suite/system_tests/scripts/n_state_model/dna_pcs_fit.py
changed /branches/bieri_gui
changed /branches/bieri_gui/generic_fns/pcs.py
changed /branches/bieri_gui/generic_fns/rdc.py
changed /branches/bieri_gui/prompt/molmol.py
changed /branches/bieri_gui/prompt/value.py
changed /branches/bieri_gui/specific_fns/n_state_model.py
changed /branches/bieri_gui/test_suite/system_tests/n_state_model.py
changed /branches/bieri_gui/test_suite/system_tests/scripts/n_state_model/lactose_n_state.py
changed /branches/bieri_gui/test_suite/system_tests/scripts/opt_setup_S2_0_970_te_2048_Rex_0_149.py
/branches/bieri_gui
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