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look for resolution_shape='normal|uniform' in data file header #130

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look for resolution_shape='normal|uniform' in data file header #130

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22 changes: 15 additions & 7 deletions refl1d/probe.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1238,7 +1238,7 @@ def load4(filename, keysep=":", sep=None, comment="#", name=None,
L=None, dL=None, T=None, dT=None, dR=None,
FWHM=False, radiation=None,
columns=None, data_range=(None, None),
resolution='normal',
resolution=None,
):
r"""
Load in four column data Q, R, dR, dQ.
Expand Down Expand Up @@ -1326,7 +1326,8 @@ def load4(filename, keysep=":", sep=None, comment="#", name=None,
data set.

*resolution* is 'normal' (default) or 'uniform'. Use uniform if you
are merging Q points from a finely stepped energy sensitive measurement.
are merging Q points from a finely stepped energy sensitive measurement
or if you are in scanning mode where each point sweeps over theta.
"""
entries = parse_multi(filename, keysep=keysep, sep=sep, comment=comment)
if columns:
Expand All @@ -1345,14 +1346,14 @@ def load4(filename, keysep=":", sep=None, comment="#", name=None,
back_reflectivity=back_reflectivity,
theta_offset=theta_offset,
sample_broadening=sample_broadening,
resolution=resolution,
)
data_args = dict(
radiation=radiation,
FWHM=FWHM,
T=T, L=L, dT=dT, dL=dL, dR=dR,
column_order=column_order,
index=index,
resolution=resolution,
)
if len(entries) == 1:
probe = _data_as_probe(entries[0], probe_args, **data_args)
Expand All @@ -1372,7 +1373,7 @@ def load4(filename, keysep=":", sep=None, comment="#", name=None,
return probe

def _data_as_probe(entry, probe_args, T, L, dT, dL, dR, FWHM, radiation,
column_order, index):
column_order, index, resolution):
name = probe_args['filename']
header, data = entry
if len(data) == 2:
Expand Down Expand Up @@ -1414,15 +1415,15 @@ def _data_as_probe(entry, probe_args, T, L, dT, dL, dR, FWHM, radiation,
make_probe = Probe

# Get T,dT,L,dL from header if it is not provided as an argument
def fetch_key(key, override):
def fetch_key(key, override, default=None):
# Note: pulls header and index pulled from context
if override is not None:
return override
elif key in header:
v = json.loads(header[key])
return np.array(v)[index] if isinstance(v, list) else v
else:
return None
return default

# Get T and L, either from user input or from datafile.
data_T = fetch_key('angle', T)
Expand Down Expand Up @@ -1462,6 +1463,9 @@ def fetch_key(key, override):
data_dLoL = dQdT2dLoL(data_Q, data_dQ, data_T, data_dT)
data_dL = data_dLoL * data_L

# Get resolution from file header if not given on command line.
resolution = fetch_key('resolution_shape', resolution, default='normal')

# Check reconstruction if user provided any of T, L, dT, or dL.
# Also, sample_offset or sample_broadening.
offset = probe_args['theta_offset']
Expand All @@ -1483,13 +1487,17 @@ def fetch_key(key, override):
L=data_L, dL=data_dL,
data=(data_R, data_dR),
dQ=data_dQ,
resolution=resolution,
**probe_args)
else:
# QProbe doesn't accept theta_offset or sample_broadening
qprobe_args = probe_args.copy()
qprobe_args.pop('theta_offset')
qprobe_args.pop('sample_broadening')
probe = QProbe(data_Q, data_dQ, data=(data_R, data_dR), **qprobe_args)
probe = QProbe(
data_Q, data_dQ, data=(data_R, data_dR),
resolution=resolution,
**qprobe_args)

return probe

Expand Down