SAS processing is unaware of measuring units

[aozalevsky]

It looks like the code is hardcoded for the 1/A units, thus it is failing on files with 1/nm units (related to #53)

There are multiple places using a hardcoded A to nm conversion:

IHMValidation/master/pyext/src/validation/sas.py

Line 190 in c3bb0ef

I_df['Q'] = I_df['Q']*10

IHMValidation/master/pyext/src/validation/sas.py

Line 217 in c3bb0ef

I_df['Q'] = I_df['Q']*10

IHMValidation/master/pyext/src/validation/sas.py

Line 421 in c3bb0ef

pdf_re['Q'] = pdf_re['Q']*10

IHMValidation/master/pyext/src/validation/sas.py

Line 481 in c3bb0ef

q_max = 1.3/(rg*10)

IHMValidation/master/pyext/src/validation/sas.py

Line 483 in c3bb0ef

G_df_range['Q'] = G_df['Q']*10

IHMValidation/master/pyext/src/validation/sas.py

Line 491 in c3bb0ef

G_df_range['Q2A'] = G_df_range['Q2']*100

The information about units is stored in the sascif file:

SASDC29

_sas_scan.unit                      1/A

SASDDD6

_sas_scan.unit                      1/nm

[aozalevsky]

SASDDD6 is the only one affected at the moment

SASDBV9.sascif:_sas_scan.unit                      1/A
SASDBW9.sascif:_sas_scan.unit                      1/A
SASDBX9.sascif:_sas_scan.unit                      1/A
SASDBY9.sascif:_sas_scan.unit                      1/A
SASDBZ9.sascif:_sas_scan.unit                      1/A
SASDC29.sascif:_sas_scan.unit                      1/A
SASDCG7.sascif:_sas_scan.unit                      1/A
SASDDD6.sascif:_sas_scan.unit                      1/nm
SASDEE2.sascif:_sas_scan.unit                      1/A
SASDG85.sascif:_sas_scan.unit                      1/A

[benmwebb]

IIRC, Sai had a few entries that didn't have corresponding data in SASBDB, so she couldn't reliably determine the units. But agreed, if we know the units are 1/nm (or you can use a heuristic to figure it out) then we should not hardcode 1/A.

[aozalevsky]

this is addressed in the dev_2.0 branch with a complete rewrite of sas code.

IHMValidation/ihm_validation/sas.py

Lines 434 to 435 in ebfbe79

	def get_scan_unit_mult(unit) -> int:
	return {'1/A': 10.0, '1/nm': 1.0}[unit]

I'll keep the issue open until the merge.