Class Rx_data

Instance Methods

__init__(self, relax)
Class containing functions for relaxation data.

add_residue(self, run=None, res_index=None, ri_labels=None, remap_table=None, frq_labels=None, frq=None, values=None, errors=None, sim=0)
Function for adding all relaxation data for a single residue.

back_calc(self, run=None, ri_label=None, frq_label=None, frq=None)
Function for back calculating relaxation data.

copy(self, run1=None, run2=None, ri_label=None, frq_label=None)
Function for copying relaxation data from run1 to run2.

data_init(self, data)
Function for initialising the data structures.

data_names(self)
Function for returning a list of names of data structures associated with relax_data.

delete(self, run=None, ri_label=None, frq_label=None)
Function for deleting relaxation data corresponding to ri_label and frq_label.

display(self, run=None, ri_label=None, frq_label=None)
Function for displaying relaxation data corresponding to ri_label and frq_label.

find_index(self, data)
Function for finding the index corresponding to self.ri_label and self.frq_label.

read(self, run=None, ri_label=None, frq_label=None, frq=None, file=None, dir=None, file_data=None, num_col=0, name_col=1, data_col=2, error_col=3, sep=None)
Function for reading R1, R2, or NOE relaxation data.

return_value(self, run, i, data_type)
Function for returning the value and error corresponding to 'data_type'.

test_labels(self, run)
Test if data corresponding to 'self.ri_label' and 'self.frq_label' currently exists.

update_data_structures(self, data=None, value=None, error=None)
Function for updating all relaxation data structures.

update_global_data_structures(self)
Function for updating all relaxation data structures.

write(self, run=None, ri_label=None, frq_label=None, file=None, dir=None, force=0)
Function for writing relaxation data.

Method Details

data_names(self)

Function for returning a list of names of data structures associated with relax_data.

Description
~~~~~~~~~~~

The names are as follows:

relax_data:  Relaxation data.

relax_error:  Relaxation error.

num_ri:  Number of data points, eg 6.

num_frq:  Number of field strengths, eg 2.

ri_labels:  Labels corresponding to the data type, eg ['NOE', 'R1', 'R2', 'NOE', 'R1',
'R2'].

remap_table:  A translation table to map relaxation data points to their frequencies, eg [0,
0, 0, 1, 1, 1].

noe_r1_table:  A translation table to direct the NOE data points to the R1 data points.
This is used to speed up calculations by avoiding the recalculation of R1 values.  eg [None,
None, 0, None, None, 3]

frq_labels:  NMR frequency labels, eg ['600', '500']

frq:  NMR frequencies in Hz, eg [600.0 * 1e6, 500.0 * 1e6]