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stevenhua0320stevenhua0320
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fix formatting issue and typo in copyright (#35)
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+25
-28
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15 files changed

+25
-28
lines changed

‎diffpy/srmise/basefunction.py‎

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -3,8 +3,7 @@
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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
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# (c) 2024 trustees of Columia University in the City of New York
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# (c) 2024 trustees of Columia University in the City of New York
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# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund

‎diffpy/srmise/baselines/arbitrary.py‎

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -3,7 +3,7 @@
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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
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# (c) 2024 trustees of Columia University in the City of New York
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# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund
@@ -89,11 +89,12 @@ def __init__(self, npars, valuef, jacobianf=None, estimatef=None, Cache=None):
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# TODO: figure out how the metadict can be used to save the functions
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# and use them again when a file is loaded...
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metadict = {}
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metadict["npars"] = (npars, repr)
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metadict["valuef"] = (valuef, repr)
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metadict["jacobianf"] = (jacobianf, repr)
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metadict["estimatef"] = (estimatef, repr)
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metadict = {
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"npars": (npars, repr),
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"valuef": (valuef, repr),
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"jacobianf": (jacobianf, repr),
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"estimatef": (estimatef, repr),
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}
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BaselineFunction.__init__(self, parameterdict, formats, default_formats, metadict, None, Cache)
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# Methods required by BaselineFunction ####
@@ -182,7 +183,6 @@ def _transform_parametersraw(self, pars, in_format, out_format):
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def _valueraw(self, pars, r):
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"""Return value of polynomial for the given parameters and r values.
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Parameters
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Parameters
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pars: Sequence of parameters
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pars[0] = a_0

‎diffpy/srmise/baselines/base.py‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -3,7 +3,7 @@
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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
6-
# (c) 2024 trustees of Columia University in the City of New York
6+
# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund

‎diffpy/srmise/baselines/fromsequence.py‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -3,7 +3,7 @@
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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
6-
# (c) 2024 trustees of Columia University in the City of New York
6+
# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund

‎diffpy/srmise/baselines/nanospherical.py‎

Lines changed: 2 additions & 2 deletions
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@@ -3,7 +3,7 @@
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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
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# (c) 2024 trustees of Columia University in the City of New York
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# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund
@@ -35,7 +35,7 @@ class NanoSpherical(BaselineFunction):
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scale factor is 4*pi*rho_0, where rho_r is the nanoparticle density.
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gamma_0(r) Reference:
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Guinier et. al. (1955). Small-angle Scattering from X-rays. New York: John Wiley & Sons, Inc.
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Guinier et al. (1955). Small-angle Scattering from X-rays. New York: John Wiley & Sons, Inc.
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"""
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def __init__(self, Cache=None):

‎diffpy/srmise/baselines/polynomial.py‎

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@@ -3,7 +3,7 @@
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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
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# (c) 2024 trustees of Columia University in the City of New York
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# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund
@@ -49,8 +49,7 @@ def __init__(self, degree, Cache=None):
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parameterdict["a_" + str(d)] = self.degree - d
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formats = ["internal"]
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default_formats = {"default_input": "internal", "default_output": "internal"}
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metadict = {}
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metadict["degree"] = (degree, repr)
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metadict = {"degree": (degree, repr)}
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BaselineFunction.__init__(self, parameterdict, formats, default_formats, metadict, None, Cache)
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# Methods required by BaselineFunction ####
@@ -95,12 +94,11 @@ def estimate_parameters(self, r, y):
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import numpy.linalg as la
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98-
A = np.array([r[cut_idx]]).T
99-
slope = la.lstsq(A, y[cut_idx])[0][0]
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a = np.array([r[cut_idx]]).T
98+
slope = la.lstsq(a, y[cut_idx])[0][0]
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return np.array([slope, 0.0])
101100
except Exception as e:
102101
emsg = "Error during estimation -- " + str(e)
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raise
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raise SrMiseEstimationError(emsg)
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106104
def _jacobianraw(self, pars, r, free):

‎diffpy/srmise/dataclusters.py‎

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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
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# (c) 2024 trustees of Columia University in the City of New York
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# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund

‎diffpy/srmise/modelcluster.py‎

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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
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# (c) 2024 trustees of Columia University in the City of New York
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# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund

‎diffpy/srmise/modelevaluators/aic.py‎

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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
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# (c) 2024 trustees of Columia University in the City of New York
6+
# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund

‎diffpy/srmise/modelevaluators/aicc.py‎

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#
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# SrMise by Luke Granlund
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# (c) 2014 trustees of the Michigan State University
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# (c) 2024 trustees of Columia University in the City of New York
6+
# (c) 2024 trustees of Columbia University in the City of New York
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# All rights reserved.
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#
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# File coded by: Luke Granlund

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