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Commit Date  
[r11316] by bugman

Large speed ups of the Ln3+ position finding system test.

2010-07-19 09:59:05 Tree
[r11315] by bugman

For for a bug introduced in the last revision (r11314).

The fixed probabilities were not being set for the Ln3+ optimisation case.

2010-07-19 09:42:30 Tree
[r11314] by bugman

Pre-defined probabilities can now be used in the 'fixed' N-state model optimisation.

2010-07-16 17:13:13 Tree
[r11313] by bugman

Fixed the align_tensor.delete() arg unit test to accept None as an arg.

2010-07-16 17:12:36 Tree
[r11312] by bugman

The align_tensor.delete() user function can now be used to remove all tensors simultaneously.

2010-07-16 09:28:33 Tree
[r11311] by bugman

Made a RelaxError less stringent so that the paramagnetic centre can be unfixed.

2010-07-16 09:24:28 Tree
[r11310] by bugman

Added a system test to back-calculated RDCs from a PCS derived alignment tensor.

2010-07-15 16:38:18 Tree
[r11309] by bugman

The RDC and PCS back-calculation user fns now add the alignment ID to the RDC and PCS if absent.

Again this is to allow both data types to be back-calculated in the absence of measured data.

2010-07-15 16:34:04 Tree
[r11308] by bugman

Small fixes and improvements to the rdc.back_calc() user function.

Align IDs are being used instead of RDC IDs so RDCs can be back-calculated even if measured RDCs are
not present. And spin info is also being checked for better error reporting to the user.

2010-07-15 16:32:33 Tree
[r11307] by bugman

The Ln3+ position optimisation system test has been sped up by decreasing the accuracy.

2010-07-15 15:23:28 Tree
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