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numpydoc build for ModelCluster (#85)
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Diff for: src/diffpy/srmise/modelcluster.py

+73-26
Original file line numberDiff line numberDiff line change
@@ -369,18 +369,26 @@ class ModelCluster(object):
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def __init__(self, model, *args, **kwds):
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"""Intialize explicitly, or from existing ModelCluster.
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Parameters [Explicit creation]
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model - Peaks object, or None->empty model
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baseline - Baseline object, or None->0
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r_data - Numpy array of r coordinates
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y_data - Numpy array of y values
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y_error - Numpy array of uncertainties in y
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cluster_slice - slice object defining the range of cluster. None->all data
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error_method - an ErrorEvaluator subclass
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peak_funcs - a sequence of PeakFunction instances
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Parameters [Creation from existing ModelCluster]
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model - ModelCluster instance, or sequence of ModelCluster instances
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Parameters
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----------
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model : (lists of) ModelCluster instance
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The ModelCluster instances to be clustered.
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If it is None, then a ModelCluster object is created.
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baseline : Baseline object
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The Baseline object, if it is None, set to 0.
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r_data : array-like
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The numpy array of r coordinates
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y_data : array-like
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The numpy array of y values
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y_error : array-like
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The numpy array of uncertainties in y
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cluster_slice : slice object
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The slice object defining the range of cluster. If the input is None,
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then it will take the entire range.
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error_method : ErrorEvaluator subclass
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The error evaluator to use to calculate quality of model to data.
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peak_funcs : a sequence of PeakFunction instances
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The peak instances to use to calculate the cluster of data.
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"""
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self.last_fit_size = 0
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self.slice = None
@@ -437,7 +445,13 @@ def addexternalpeaks(self, peaks):
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"""Add peaks (and their value) to self.
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Parameters
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peaks - A Peaks object
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----------
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peaks : A Peaks object
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The peaks to be added
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Returns
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-------
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None
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"""
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self.replacepeaks(peaks)
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self.y_data += peaks.value(self.r_data)
@@ -447,8 +461,9 @@ def writestr(self, **kwds):
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"""Return partial string representation.
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Keywords
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pfbaselist - List of peak function bases. Otherwise define list from self.
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blfbaselist - List of baseline function bases. Otherwise define list from self.
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--------
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pfbaselist - List of peak function bases. Otherwise, define list from self.
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blfbaselist - List of baseline function bases.Otherwise, define list from self.
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"""
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from diffpy.srmise.basefunction import BaseFunction
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@@ -524,8 +539,9 @@ def factory(mcstr, **kwds):
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"""Create ModelCluster from string.
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Keywords
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pfbaselist - List of peak function bases
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blfbaselist - List of baseline function bases
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--------
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pfbaselist : List of peak function bases
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blfbaselist : List of baseline function bases
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"""
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from diffpy.srmise.basefunction import BaseFunction
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@@ -696,8 +712,16 @@ def join_adjacent(m1, m2):
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unchanged.
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Parameters
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m1 - A ModelCluster
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m2 - A ModelCluster
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----------
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m1 : ModelCluster instance
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The first ModelCluster instance.
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m2 : ModelCluster instance
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The second ModelCluster instance.
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Returns
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-------
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ModelCluster instance
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The new ModelCluster instance between m1 and m2.
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"""
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# Check for members that must be shared.
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if not (m1.r_data is m2.r_data):
@@ -778,7 +802,17 @@ def join_adjacent(m1, m2):
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)
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def change_slice(self, new_slice):
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"""Change the slice which represents the extent of a cluster."""
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"""Change the slice which represents the extent of a cluster.
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Parameters
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----------
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new_slice : slice object
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The new slice to change.
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Returns
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-------
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None
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"""
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old_slice = self.slice
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self.slice = new_slice
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self.r_cluster = self.r_data[new_slice]
@@ -815,10 +849,16 @@ def npars(self, count_baseline=True, count_fixed=True):
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"""Return number of parameters in model and baseline.
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Parameters
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count_baseline - [True] Boolean determines whether or not to count
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parameters from baseline.
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count_fixed - [True] Boolean determines whether or not to include
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non-free parameters.
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----------
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count_baseline : bool
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The boolean determines whether to count parameters from baseline. Default is True.
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count_fixed : bool
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The boolean determines whether to include non-free parameters. Default is True.
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Returns
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-------
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n : int
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The number of parameters in model and baseline.
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"""
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n = self.model.npars(count_fixed=count_fixed)
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if count_baseline and self.baseline is not None:
@@ -829,8 +869,15 @@ def replacepeaks(self, newpeaks, delslice=slice(0, 0)):
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"""Replace peaks given by delslice by those in newpeaks.
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Parameters
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newpeaks - Add each Peak in this Peaks to cluster.
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delslice - Existing peaks given by slice object are deleted.
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----------
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newpeaks : Peak instance
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The peak that id added to each existing peak to cluster.
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delslice : Peak instance
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The existing peaks given by slice object are deleted.
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Returns
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-------
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None
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"""
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for p in self.model[delslice]:
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if not p.removable:

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