diff --git a/src/diffpy/srmise/modelcluster.py b/src/diffpy/srmise/modelcluster.py index 668612e..26816e6 100644 --- a/src/diffpy/srmise/modelcluster.py +++ b/src/diffpy/srmise/modelcluster.py @@ -369,18 +369,26 @@ class ModelCluster(object): def __init__(self, model, *args, **kwds): """Intialize explicitly, or from existing ModelCluster. - Parameters [Explicit creation] - model - Peaks object, or None->empty model - baseline - Baseline object, or None->0 - r_data - Numpy array of r coordinates - y_data - Numpy array of y values - y_error - Numpy array of uncertainties in y - cluster_slice - slice object defining the range of cluster. None->all data - error_method - an ErrorEvaluator subclass - peak_funcs - a sequence of PeakFunction instances - - Parameters [Creation from existing ModelCluster] - model - ModelCluster instance, or sequence of ModelCluster instances + Parameters + ---------- + model : (lists of) ModelCluster instance + The ModelCluster instances to be clustered. + If it is None, then a ModelCluster object is created. + baseline : Baseline object + The Baseline object, if it is None, set to 0. + r_data : array-like + The numpy array of r coordinates + y_data : array-like + The numpy array of y values + y_error : array-like + The numpy array of uncertainties in y + cluster_slice : slice object + The slice object defining the range of cluster. If the input is None, + then it will take the entire range. + error_method : ErrorEvaluator subclass + The error evaluator to use to calculate quality of model to data. + peak_funcs : a sequence of PeakFunction instances + The peak instances to use to calculate the cluster of data. """ self.last_fit_size = 0 self.slice = None @@ -437,7 +445,13 @@ def addexternalpeaks(self, peaks): """Add peaks (and their value) to self. Parameters - peaks - A Peaks object + ---------- + peaks : A Peaks object + The peaks to be added + + Returns + ------- + None """ self.replacepeaks(peaks) self.y_data += peaks.value(self.r_data) @@ -447,8 +461,9 @@ def writestr(self, **kwds): """Return partial string representation. Keywords - pfbaselist - List of peak function bases. Otherwise define list from self. - blfbaselist - List of baseline function bases. Otherwise define list from self. + -------- + pfbaselist - List of peak function bases. Otherwise, define list from self. + blfbaselist - List of baseline function bases.Otherwise, define list from self. """ from diffpy.srmise.basefunction import BaseFunction @@ -524,8 +539,9 @@ def factory(mcstr, **kwds): """Create ModelCluster from string. Keywords - pfbaselist - List of peak function bases - blfbaselist - List of baseline function bases + -------- + pfbaselist : List of peak function bases + blfbaselist : List of baseline function bases """ from diffpy.srmise.basefunction import BaseFunction @@ -696,8 +712,16 @@ def join_adjacent(m1, m2): unchanged. Parameters - m1 - A ModelCluster - m2 - A ModelCluster + ---------- + m1 : ModelCluster instance + The first ModelCluster instance. + m2 : ModelCluster instance + The second ModelCluster instance. + + Returns + ------- + ModelCluster instance + The new ModelCluster instance between m1 and m2. """ # Check for members that must be shared. if not (m1.r_data is m2.r_data): @@ -778,7 +802,17 @@ def join_adjacent(m1, m2): ) def change_slice(self, new_slice): - """Change the slice which represents the extent of a cluster.""" + """Change the slice which represents the extent of a cluster. + + Parameters + ---------- + new_slice : slice object + The new slice to change. + + Returns + ------- + None + """ old_slice = self.slice self.slice = new_slice self.r_cluster = self.r_data[new_slice] @@ -815,10 +849,16 @@ def npars(self, count_baseline=True, count_fixed=True): """Return number of parameters in model and baseline. Parameters - count_baseline - [True] Boolean determines whether or not to count - parameters from baseline. - count_fixed - [True] Boolean determines whether or not to include - non-free parameters. + ---------- + count_baseline : bool + The boolean determines whether to count parameters from baseline. Default is True. + count_fixed : bool + The boolean determines whether to include non-free parameters. Default is True. + + Returns + ------- + n : int + The number of parameters in model and baseline. """ n = self.model.npars(count_fixed=count_fixed) if count_baseline and self.baseline is not None: @@ -829,8 +869,15 @@ def replacepeaks(self, newpeaks, delslice=slice(0, 0)): """Replace peaks given by delslice by those in newpeaks. Parameters - newpeaks - Add each Peak in this Peaks to cluster. - delslice - Existing peaks given by slice object are deleted. + ---------- + newpeaks : Peak instance + The peak that id added to each existing peak to cluster. + delslice : Peak instance + The existing peaks given by slice object are deleted. + + Returns + ------- + None """ for p in self.model[delslice]: if not p.removable: