relax SVN archive

Merged revisions 19723-19733 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r19723 | bugman | 2013-05-24 09:25:27 +0200 (Fri, 24 May 2013) | 3 lines

The pipe_control.spectrometer.get_frequencies() function can now return MHz or Tesla units.
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r19724 | bugman | 2013-05-24 09:39:06 +0200 (Fri, 24 May 2013) | 5 lines

Renamed the functions of the pipe_control.spectrometer module.

The frequency() and temperature() functions are now called set_frequency() and set_temperature().
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r19725 | bugman | 2013-05-24 09:42:52 +0200 (Fri, 24 May 2013) | 5 lines

Added backwards compatibility support for the spectrometer frequency list and count.

This is needed for old relax state files.
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r19726 | bugman | 2013-05-24 11:18:23 +0200 (Fri, 24 May 2013) | 3 lines

A whitelist is now being used to limit the number of frame order GUI tests to 1.
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r19727 | bugman | 2013-05-24 11:50:00 +0200 (Fri, 24 May 2013) | 6 lines

Fix for the relax test suite on Python 3.1.

The TextTestRunner class in the unittest module is missing a few arguments present in all other
Python versions.
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r19728 | bugman | 2013-05-24 11:55:57 +0200 (Fri, 24 May 2013) | 3 lines

The fix of r19727 was extended to Python versions 2.6 and lower as well.
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r19729 | bugman | 2013-05-24 12:10:02 +0200 (Fri, 24 May 2013) | 14 lines

Shifted all frequency data handling associated with relaxation data to pipe_control.spectrometer.

This includes the deletion of the relax_data.frq user function as this replicates the behaviour of
spectrometer.frequency. A number of functions from the pipe_control.relax_data module have changed:

- frq() has been deleted as it is replaced by pipe_control.spectrometer.set_frequencies(),
- frq_checks() has been shifted to pipe_control.spectrometer.frequency_checks(),
- frq_loop() has been shifted to pipe_control.spectrometer.loop_frequencies(),
- num_frq() has been deleted as the new variable cdp.spectrometer_frq_count contains this info.

Two new functions in the pipe_control.spectrometer module have been added to remove the
functionality from pipe_control.relax_data. These are copy_frequencies() and delete_frequencies().
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r19730 | bugman | 2013-05-24 15:52:17 +0200 (Fri, 24 May 2013) | 3 lines

The molmol.macro_run user function file argument now has a description.
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r19731 | bugman | 2013-05-24 16:12:27 +0200 (Fri, 24 May 2013) | 6 lines

Huge speed up of the system tests for the loading and creation of model-free saved states.

The OMP files used for the system test have been truncated from 134 to 7 spins, changing the timing
of 6 system tests from 11-13 seconds to less than 0.5 seconds each.
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r19732 | bugman | 2013-05-24 16:17:27 +0200 (Fri, 24 May 2013) | 7 lines

All of the binary file arguments for the user functions now are file selection GUI elements.

The GUI user function wizard pages now have file selection buttons for selecting the executable to
run. These all have the preview button disabled. The results.read and state.load GUI elements also
have the preview button disabled.
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r19733 | bugman | 2013-05-24 16:35:06 +0200 (Fri, 24 May 2013) | 3 lines

The user function 'prompt' description elements as now displayed in the GUI wizard page.
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The user function 'prompt' description elements as now displayed in the GUI wizard page.

All of the binary file arguments for the user functions now are file selection GUI elements.

The GUI user function wizard pages now have file selection buttons for selecting the executable to
run. These all have the preview button disabled. The results.read and state.load GUI elements also
have the preview button disabled.

Huge speed up of the system tests for the loading and creation of model-free saved states.

The OMP files used for the system test have been truncated from 134 to 7 spins, changing the timing
of 6 system tests from 11-13 seconds to less than 0.5 seconds each.

The molmol.macro_run user function file argument now has a description.

Shifted all frequency data handling associated with relaxation data to pipe_control.spectrometer.

This includes the deletion of the relax_data.frq user function as this replicates the behaviour of
spectrometer.frequency. A number of functions from the pipe_control.relax_data module have changed:

- frq() has been deleted as it is replaced by pipe_control.spectrometer.set_frequencies(),
- frq_checks() has been shifted to pipe_control.spectrometer.frequency_checks(),
- frq_loop() has been shifted to pipe_control.spectrometer.loop_frequencies(),
- num_frq() has been deleted as the new variable cdp.spectrometer_frq_count contains this info.

Two new functions in the pipe_control.spectrometer module have been added to remove the
functionality from pipe_control.relax_data. These are copy_frequencies() and delete_frequencies().

The fix of r19727 was extended to Python versions 2.6 and lower as well.

Fix for the relax test suite on Python 3.1.

The TextTestRunner class in the unittest module is missing a few arguments present in all other
Python versions.

A whitelist is now being used to limit the number of frame order GUI tests to 1.

Added backwards compatibility support for the spectrometer frequency list and count.

This is needed for old relax state files.