Hi,
I would support this. To implement this, I would guess that the
pipe_control.value module would need changing. Are you able to create
a system test for this? Implementing a system test before changing
the code would be the best as it will guarantee that the headers are
not accidentally changed when code refactorisations occur (which is a
relatively common event in relax, thanks to the test suite). I would
also suggest changing the behaviour for dictionaries to match that for
single values and lists by having the following header created:
# Parameter description: The transversal relaxation rate for state A
in the absence of exchange.
#
# mol_name res_num res_name spin_num spin_name
value_SQ_CPMG_-_599.89086220_MHz error_SQ_CPMG_-_599.89086220_MHz
This consistency would make parsing of different value files easier in
the future. The header for single value parameters look like:
# mol_name res_num res_name spin_num spin_name value error
And for lists elements (here index 2):
# mol_name res_num res_name spin_num spin_name value_2
error_2
For the implementation, you should really test this using Python 3 as
well. This is another reason why the system test will be of benefit.
String operations have changed significantly in Python 3, but it is
easy enough to use a solution which works for both Python versions.
Cheers,
Edward
On 19 February 2014 13:02, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx>
wrote:
Hi Edward.
If I use the function:
value.write(param='r2a')
The header file looks like this:
# Parameter description: The transversal relaxation rate for state A in the
absence of exchange.
#
# mol_name res_num res_name spin_num spin_name SQ CPMG -
599.89086220 MHz sd(SQ CPMG - 599.89086220 MHz)
Ideally I would like it to have it similar to this:
# Parameter description: The transversal relaxation rate for state A in the
absence of exchange.
#
# mol_name res_num res_name spin_num spin_name
SQ_CPMG_-_599.89086220_MHz sd(SQ_CPMG_-_599.89086220_MHz)
so a string.split() will be of the same length as the data columns.
Best
Troels
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Re: Support request for replacing space in header files for the value.write functions