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fix formatting issue and typo in copyright #35

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Jul 30, 2024
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fix formatting issue and typo in copyright #35

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3 changes: 1 addition & 2 deletions diffpy/srmise/basefunction.py
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Expand Up @@ -3,8 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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14 changes: 7 additions & 7 deletions diffpy/srmise/baselines/arbitrary.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
Expand Down Expand Up @@ -89,11 +89,12 @@ def __init__(self, npars, valuef, jacobianf=None, estimatef=None, Cache=None):

# TODO: figure out how the metadict can be used to save the functions
# and use them again when a file is loaded...
metadict = {}
metadict["npars"] = (npars, repr)
metadict["valuef"] = (valuef, repr)
metadict["jacobianf"] = (jacobianf, repr)
metadict["estimatef"] = (estimatef, repr)
metadict = {
"npars": (npars, repr),
"valuef": (valuef, repr),
"jacobianf": (jacobianf, repr),
"estimatef": (estimatef, repr),
}
BaselineFunction.__init__(self, parameterdict, formats, default_formats, metadict, None, Cache)

# Methods required by BaselineFunction ####
Expand Down Expand Up @@ -182,7 +183,6 @@ def _transform_parametersraw(self, pars, in_format, out_format):
def _valueraw(self, pars, r):
"""Return value of polynomial for the given parameters and r values.

Parameters
Parameters
pars: Sequence of parameters
pars[0] = a_0
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2 changes: 1 addition & 1 deletion diffpy/srmise/baselines/base.py
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Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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2 changes: 1 addition & 1 deletion diffpy/srmise/baselines/fromsequence.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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4 changes: 2 additions & 2 deletions diffpy/srmise/baselines/nanospherical.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
Expand Down Expand Up @@ -35,7 +35,7 @@ class NanoSpherical(BaselineFunction):
scale factor is 4*pi*rho_0, where rho_r is the nanoparticle density.

gamma_0(r) Reference:
Guinier et. al. (1955). Small-angle Scattering from X-rays. New York: John Wiley & Sons, Inc.
Guinier et al. (1955). Small-angle Scattering from X-rays. New York: John Wiley & Sons, Inc.
"""

def __init__(self, Cache=None):
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10 changes: 4 additions & 6 deletions diffpy/srmise/baselines/polynomial.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
Expand Down Expand Up @@ -49,8 +49,7 @@ def __init__(self, degree, Cache=None):
parameterdict["a_" + str(d)] = self.degree - d
formats = ["internal"]
default_formats = {"default_input": "internal", "default_output": "internal"}
metadict = {}
metadict["degree"] = (degree, repr)
metadict = {"degree": (degree, repr)}
BaselineFunction.__init__(self, parameterdict, formats, default_formats, metadict, None, Cache)

# Methods required by BaselineFunction ####
Expand Down Expand Up @@ -95,12 +94,11 @@ def estimate_parameters(self, r, y):

import numpy.linalg as la

A = np.array([r[cut_idx]]).T
slope = la.lstsq(A, y[cut_idx])[0][0]
a = np.array([r[cut_idx]]).T
slope = la.lstsq(a, y[cut_idx])[0][0]
return np.array([slope, 0.0])
except Exception as e:
emsg = "Error during estimation -- " + str(e)
raise
raise SrMiseEstimationError(emsg)

def _jacobianraw(self, pars, r, free):
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2 changes: 1 addition & 1 deletion diffpy/srmise/dataclusters.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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2 changes: 1 addition & 1 deletion diffpy/srmise/modelcluster.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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2 changes: 1 addition & 1 deletion diffpy/srmise/modelevaluators/aic.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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2 changes: 1 addition & 1 deletion diffpy/srmise/modelevaluators/aicc.py
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#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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2 changes: 1 addition & 1 deletion diffpy/srmise/modelevaluators/base.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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2 changes: 1 addition & 1 deletion diffpy/srmise/peaks/base.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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2 changes: 1 addition & 1 deletion diffpy/srmise/peaks/gaussian.py
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#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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2 changes: 1 addition & 1 deletion diffpy/srmise/peaks/gaussianoverr.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
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2 changes: 1 addition & 1 deletion diffpy/srmise/peaks/terminationripples.py
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Expand Up @@ -3,7 +3,7 @@
#
# SrMise by Luke Granlund
# (c) 2014 trustees of the Michigan State University
# (c) 2024 trustees of Columia University in the City of New York
# (c) 2024 trustees of Columbia University in the City of New York
# All rights reserved.
#
# File coded by: Luke Granlund
Expand Down
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