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peakextraction.py and init (#40)
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Diff for: diffpy/srmise/__init__.py

+3
Original file line numberDiff line numberDiff line change
@@ -16,3 +16,6 @@
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from diffpy.srmise.version import __version__
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# silence the pyflakes syntax checker
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assert __version__ or True

Diff for: diffpy/srmise/peakextraction.py

+8-9
Original file line numberDiff line numberDiff line change
@@ -20,17 +20,15 @@
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import matplotlib.pyplot as plt
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import numpy as np
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from diffpy.srmise import srmiselog
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from diffpy.srmise.baselines import Baseline
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from diffpy.srmise.dataclusters import DataClusters
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from diffpy.srmise.modelcluster import ModelCluster, ModelCovariance
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from diffpy.srmise.modelparts import ModelPart, ModelParts
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from diffpy.srmise.peaks import Peak, Peaks
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from diffpy.srmise.srmiseerrors import *
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from diffpy.srmise.srmiseerrors import SrMiseDataFormatError, SrMiseEstimationError, SrMiseFileError
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logger = logging.getLogger("diffpy.srmise")
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from diffpy.srmise import srmiselog
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class PeakExtraction(object):
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"""Class for peak extraction.
@@ -461,8 +459,8 @@ def readstr(self, datastring):
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# raise SrMiseDataFormatError if something goes wrong
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try:
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for line in start_data.split("\n"):
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l = line.split()
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if len(arrays) != len(l):
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split_line = line.split()
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if len(arrays) != len(split_line):
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emsg = "Number of value fields does not match that given by '%s'" % start_data_info
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for a, v in zip(arrays, line.split()):
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a.append(float(v))
@@ -892,7 +890,8 @@ def extract_single(self, recursion_depth=1):
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# left_data, right_data: indices defining the extent of the "interpeak range" for x, etc.
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near_peaks = np.array([], dtype=np.int)
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# interpeak range goes from peak to peak of next nearest peaks, although their contributions to the data are still removed.
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# interpeak range goes from peak to peak of next nearest peaks, although their contributions
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# to the data are still removed.
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if pivot == 0:
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# No peaks left of border_x!
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left_data = full_cluster.slice.indices(len(x))[0]
@@ -1035,7 +1034,8 @@ def extract_single(self, recursion_depth=1):
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# left_data, right_data: indices defining the extent of the "interpeak range" for x, etc.
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near_peaks = np.array([], dtype=np.int)
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# interpeak range goes from peak to peak of next nearest peaks, although their contributions to the data are still removed.
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# interpeak range goes from peak to peak of next nearest peaks, although their contributions
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# to the data are still removed.
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if pivot == 0:
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# No peaks left of border_x!
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left_data = new_cluster.slice.indices(len(x))[0]
@@ -1307,7 +1307,6 @@ def fit_single(self):
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from numpy.random import randn
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from diffpy.srmise import srmiselog
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from diffpy.srmise.modelevaluators import AICc
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from diffpy.srmise.peaks import GaussianOverR
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