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committedSep 27, 2024·
[pre-commit.ci] auto fixes from pre-commit hooks
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‎doc/source/api/diffpy.srmise.applications.rst

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:members:
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:show-inheritance:
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‎doc/source/api/diffpy.srmise.baselines.rst

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‎doc/source/api/diffpy.srmise.modelevaluators.rst

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‎doc/source/api/diffpy.srmise.peaks.rst

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‎doc/source/api/diffpy.srmise.rst

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‎doc/source/extending.rst

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* .. py:class:: BaseFunction
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+ .. py:class:: BaselineFunction
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- .. py:class:: FromSequence
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- .. py:class:: NanoSpherical
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- .. py:class:: Polynomial
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- *etc.*
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+ .. py:class:: PeakFunction
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- .. py:class:: Gaussian
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- .. py:class:: GaussianOverR
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- *etc.*
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.. py:method:: estimate_parameters(r, y)
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Return a Numpy array of parameters estimated from the data.
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:param r: Grid on which the data are defined.
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:param y: The data.
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:type r: `Sequence`
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.. py:method:: _jacobian_raw(pars, r, free)
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Return Jacobian for parameters evaluated over `r`.
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:param pars: The parameters of the baseline.
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:param r: Scalar or grid on which to calculate the Jacobian.
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:param free: Boolean values indicating if corresponding parameter is free (True) or fixed (False).
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.. py:method:: _transform_derivativesraw(pars, in_format, out_format)
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Return the gradient matrix of `pars` represented in format 'out_format'.
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:param pars: The parameters of the baseline.
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:param in_format: The format of `pars`.
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:param out_format: The desired format of `pars`.
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.. py:method:: _transform_parametersraw(pars, in_format, out_format)
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Return parameters transformed into format 'out_format'.
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:param pars: The parameters of the baseline.
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:param in_format: The format of `pars`.
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:param out_format: The desired format of `pars`.
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:type out_format: `str`
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:returns: The transformed parameters.
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:rtype: `numpy.ndarray`
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.. py:method:: _valueraw(pars, r)
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Return value of baseline with given parameters at r.
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:param pars: The parameters of the baseline.
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:param r: Scalar or grid on which to calculate the baseline.
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:type pars: `Sequence(float)`
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1) The ``estimate_parameters`` method is required.
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2) The "position" key must be defined in the ``parameterdict`` class member.
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3) Peak functions must implement the additional method ``scale_at``.
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.. py:method:: scale_at(pars, r, scale)
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Return peak parameters such that the value at ``r`` is scaled by ``scale``
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while the position of the peak's maxima remains unchanged.
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:param pars: The parameters of the peak.
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:param r: Position where the peak will be rescaled.
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:param scale: A scale factor > 0.

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