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SVN archive Commit Log


Commit Date  
[r8124] by semor

Deleted this now not needed file.

2008-12-04 02:43:09 Tree
[r8123] by semor

Finalized the code for the reading of intensities from the generic file.

The test now passes after reading in multiple intensities from a single file.

2008-12-04 02:21:37 Tree
[r8122] by semor

Still more for the generic peak intensity support.

Changed the proton definition in the generic file to match the default value for simplicity of
coding at this time.

The test now passes for the reading of the intensity associated to the first delay only...

2008-12-04 01:48:29 Tree
[r8121] by semor

Still more for the generic peak intensity support.

The intensity is now returned for the first delay only.

Further work is needed for the code to return all available intensities (for the different delays).

2008-12-04 01:46:41 Tree
[r8120] by semor

Still more for the generic peak intensity support.

Added a column for the proton within the generic peak intensity file and modified the handling code
accordingly.

2008-12-04 01:30:38 Tree
[r8119] by semor

Brought back revision 8096.

The command used was:
svn merge -r8095:8096 .

This was done since r8117 reverted accidentally both r8096 and r8097, while only r8097 had to be
reverted.

2008-12-04 01:22:24 Tree
[r8118] by semor

Continued the implementation of the reading of the generic peak intensity file.

The good file is now input.

2008-12-04 01:14:08 Tree
[r8117] by semor

Reverted revisions 8096 and 8097.

The command used was:
svn merge -r8097:8095 .

This follows a discussion started by Edward d'Auvergne at:
https://mail.gna.org/public/relax-users/2008-12/msg00000.html
(Message ID: 7f080ed10812030146w7e73ce24r75d32121e5f1c05f@...)

2008-12-04 01:09:50 Tree
[r8116] by bugman

Added a sample script for the creation of the PDB representation of the XH bond vectors.

2008-12-03 21:56:23 Tree
[r8115] by bugman

The centre_of_mass() function now only throws warnings rather than RelaxErrors.

This allows the CoM to be calculated even if a few elements are unknown or if the element record is
missing.

2008-12-03 21:30:16 Tree
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