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__init__(self,
relax)
Class containing functions for relaxation data. |
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assign_function(self,
run=None,
i=None,
intensity=None)
Function for assigning peak intensity data to either the reference or
saturated spectra. |
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overfit_deselect(self,
run)
Function for deselecting residues without sufficient data to support
calculation |
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read(self,
run=None,
file=None,
dir=None,
spectrum_type=None,
format=None,
heteronuc=None,
proton=None,
int_col=None)
Function for reading peak intensity data. |
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read_columnar_results(self,
run,
file_data)
Function for reading the results file. |
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return_conversion_factor(self,
stat_type)
Dummy function for returning 1.0. |
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return_data_name(self,
name)
NOE calculation data type string matching patterns
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ |
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return_grace_string(self,
data_type)
Function for returning the Grace string representing the data type
for axis labelling. |
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return_units(self,
stat_type)
Dummy function which returns None as the stats have no units. |
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return_value(self,
run,
i,
data_type=' noe ' )
Function for returning the NOE value and error. |
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set_error(self,
run=None,
error=0.0,
spectrum_type=None,
res_num=None,
res_name=None)
Function for setting the errors. |
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write(self,
run=None,
file=None,
dir=None,
force=0)
Function for writing NOE values and errors to a file. |
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write_columnar_line(self,
file=None,
num=None,
name=None,
select=None,
ref_int=None,
ref_err=None,
sat_int=None,
sat_err=None,
noe=None,
noe_err=None)
Function for printing a single line of the columnar formatted
results. |
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write_columnar_results(self,
file,
run)
Function for printing the results into a file. |
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