From a9c23aaa0e6cb13ef5ea0e21efb7e7e21fb07144 Mon Sep 17 00:00:00 2001 From: stevenhua0320 Date: Thu, 15 Aug 2024 15:21:37 +0800 Subject: [PATCH] change createpeak to actualize function --- src/diffpy/srmise/baselines/base.py | 2 +- src/diffpy/srmise/peaks/gaussian.py | 4 ++-- src/diffpy/srmise/peaks/gaussianoverr.py | 4 ++-- src/diffpy/srmise/peaks/terminationripples.py | 6 +++--- 4 files changed, 8 insertions(+), 8 deletions(-) diff --git a/src/diffpy/srmise/baselines/base.py b/src/diffpy/srmise/baselines/base.py index 4d1d42f..23e242d 100644 --- a/src/diffpy/srmise/baselines/base.py +++ b/src/diffpy/srmise/baselines/base.py @@ -181,5 +181,5 @@ def factory(baselinestr, ownerlist): evaluator = AICc() pars = [[3, 0.2, 10], [3.5, 0.2, 10]] - ideal_peaks = Peaks([pf.createpeak(p, "pwa") for p in pars]) + ideal_peaks = Peaks([pf.actualize(p, "pwa") for p in pars]) y = ideal_peaks.value(r) + 0.1 * randn(len(r)) diff --git a/src/diffpy/srmise/peaks/gaussian.py b/src/diffpy/srmise/peaks/gaussian.py index 126e3b6..433af3a 100644 --- a/src/diffpy/srmise/peaks/gaussian.py +++ b/src/diffpy/srmise/peaks/gaussian.py @@ -354,11 +354,11 @@ def max(self, pars): evaluator = AICc() pars = [[3, 0.2, 10], [3.5, 0.2, 10]] - ideal_peaks = Peaks([pf.createpeak(p, "pwa") for p in pars]) + ideal_peaks = Peaks([pf.actualize(p, "pwa") for p in pars]) y = ideal_peaks.value(r) + 0.1 * randn(len(r)) guesspars = [[2.7, 0.15, 5], [3.7, 0.3, 5]] - guess_peaks = Peaks([pf.createpeak(p, "pwa") for p in guesspars]) + guess_peaks = Peaks([pf.actualize(p, "pwa") for p in guesspars]) cluster = ModelCluster(guess_peaks, r, y, err, None, AICc, [pf]) qual1 = cluster.quality() diff --git a/src/diffpy/srmise/peaks/gaussianoverr.py b/src/diffpy/srmise/peaks/gaussianoverr.py index 9252135..8b125a9 100644 --- a/src/diffpy/srmise/peaks/gaussianoverr.py +++ b/src/diffpy/srmise/peaks/gaussianoverr.py @@ -427,11 +427,11 @@ def max(self, pars): evaluator = AICc() pars = [[3, 0.2, 10], [3.5, 0.2, 10]] - ideal_peaks = Peaks([pf.createpeak(p, "pwa") for p in pars]) + ideal_peaks = Peaks([pf.actualize(p, "pwa") for p in pars]) y = ideal_peaks.value(r) + 0.1 * randn(len(r)) guesspars = [[2.7, 0.15, 5], [3.7, 0.3, 5]] - guess_peaks = Peaks([pf.createpeak(p, "pwa") for p in guesspars]) + guess_peaks = Peaks([pf.actualize(p, "pwa") for p in guesspars]) cluster = ModelCluster(guess_peaks, r, y, err, None, AICc, [pf]) qual1 = cluster.quality() diff --git a/src/diffpy/srmise/peaks/terminationripples.py b/src/diffpy/srmise/peaks/terminationripples.py index 1ac5d81..4a66b6e 100644 --- a/src/diffpy/srmise/peaks/terminationripples.py +++ b/src/diffpy/srmise/peaks/terminationripples.py @@ -290,13 +290,13 @@ def extend_grid(self, r, dr): evaluator = AICc() pars = [[3, 0.2, 10], [3.5, 0.2, 10]] - ideal_peaks = Peaks([pf1.createpeak(p, "pwa") for p in pars]) - ripple_peaks = Peaks([pf2.createpeak(p, "pwa") for p in pars]) + ideal_peaks = Peaks([pf1.actualize(p, "pwa") for p in pars]) + ripple_peaks = Peaks([pf2.actualize(p, "pwa") for p in pars]) y_ideal = ideal_peaks.value(r) y_ripple = ripple_peaks.value(r) + 0.1 * randn(len(r)) guesspars = [[2.7, 0.15, 5], [3.7, 0.3, 5]] - guess_peaks = Peaks([pf2.createpeak(p, "pwa") for p in guesspars]) + guess_peaks = Peaks([pf2.actualize(p, "pwa") for p in guesspars]) cluster = ModelCluster(guess_peaks, r, y_ripple, err, None, AICc, [pf2]) qual1 = cluster.quality()