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change createpeak to actualize function (#72)
1 parent 20b4d01 commit 6e62077

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4 files changed

+8
-8
lines changed

4 files changed

+8
-8
lines changed

Diff for: src/diffpy/srmise/baselines/base.py

+1-1
Original file line numberDiff line numberDiff line change
@@ -181,5 +181,5 @@ def factory(baselinestr, ownerlist):
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evaluator = AICc()
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pars = [[3, 0.2, 10], [3.5, 0.2, 10]]
184-
ideal_peaks = Peaks([pf.createpeak(p, "pwa") for p in pars])
184+
ideal_peaks = Peaks([pf.actualize(p, "pwa") for p in pars])
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y = ideal_peaks.value(r) + 0.1 * randn(len(r))

Diff for: src/diffpy/srmise/peaks/gaussian.py

+2-2
Original file line numberDiff line numberDiff line change
@@ -354,11 +354,11 @@ def max(self, pars):
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evaluator = AICc()
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pars = [[3, 0.2, 10], [3.5, 0.2, 10]]
357-
ideal_peaks = Peaks([pf.createpeak(p, "pwa") for p in pars])
357+
ideal_peaks = Peaks([pf.actualize(p, "pwa") for p in pars])
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y = ideal_peaks.value(r) + 0.1 * randn(len(r))
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guesspars = [[2.7, 0.15, 5], [3.7, 0.3, 5]]
361-
guess_peaks = Peaks([pf.createpeak(p, "pwa") for p in guesspars])
361+
guess_peaks = Peaks([pf.actualize(p, "pwa") for p in guesspars])
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cluster = ModelCluster(guess_peaks, r, y, err, None, AICc, [pf])
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qual1 = cluster.quality()

Diff for: src/diffpy/srmise/peaks/gaussianoverr.py

+2-2
Original file line numberDiff line numberDiff line change
@@ -427,11 +427,11 @@ def max(self, pars):
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evaluator = AICc()
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pars = [[3, 0.2, 10], [3.5, 0.2, 10]]
430-
ideal_peaks = Peaks([pf.createpeak(p, "pwa") for p in pars])
430+
ideal_peaks = Peaks([pf.actualize(p, "pwa") for p in pars])
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y = ideal_peaks.value(r) + 0.1 * randn(len(r))
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guesspars = [[2.7, 0.15, 5], [3.7, 0.3, 5]]
434-
guess_peaks = Peaks([pf.createpeak(p, "pwa") for p in guesspars])
434+
guess_peaks = Peaks([pf.actualize(p, "pwa") for p in guesspars])
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cluster = ModelCluster(guess_peaks, r, y, err, None, AICc, [pf])
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qual1 = cluster.quality()

Diff for: src/diffpy/srmise/peaks/terminationripples.py

+3-3
Original file line numberDiff line numberDiff line change
@@ -290,13 +290,13 @@ def extend_grid(self, r, dr):
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evaluator = AICc()
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pars = [[3, 0.2, 10], [3.5, 0.2, 10]]
293-
ideal_peaks = Peaks([pf1.createpeak(p, "pwa") for p in pars])
294-
ripple_peaks = Peaks([pf2.createpeak(p, "pwa") for p in pars])
293+
ideal_peaks = Peaks([pf1.actualize(p, "pwa") for p in pars])
294+
ripple_peaks = Peaks([pf2.actualize(p, "pwa") for p in pars])
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y_ideal = ideal_peaks.value(r)
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y_ripple = ripple_peaks.value(r) + 0.1 * randn(len(r))
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guesspars = [[2.7, 0.15, 5], [3.7, 0.3, 5]]
299-
guess_peaks = Peaks([pf2.createpeak(p, "pwa") for p in guesspars])
299+
guess_peaks = Peaks([pf2.actualize(p, "pwa") for p in guesspars])
300300
cluster = ModelCluster(guess_peaks, r, y_ripple, err, None, AICc, [pf2])
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qual1 = cluster.quality()

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