2017-11-04 9 views
0

lmfitの推測機能に問題があります。私はいくつかの実験データを収めようとしており、lmfitの異なる組み込みモデルを使いたいと思いますが、関数を直接定義した場合にのみ組み込みモジュールを実行することはできません。組み込み定義モデルをlmfitで使用するときの推測関数

次のコードは機能しませんが、推測機能にコメントすると機能します。

P.S.データの同じ最初の列をすべて使用するループに入れて、データの新しい2番目の列を新しい列として配置できるので、インデックスは最初の列ですデータフレーム。

File "/Users/johndoe/anaconda2/lib/python2.7/site-packages/lmfit/models.py", line 52, in guess_from_peak 
cen = x[imaxy] 

IndexError: only integers, slices (`:`), ellipsis (`...`), numpy.newaxis (`None`) and integer or boolean arrays are valid indices 

私はmodels.pyからguess_from_peakを実行しようとしていると私はそれが整数になった問題を持っていなかった:私は、モジュールに組み込まれたコメントを解除した場合に過ごしています

# -*- coding: utf-8 -*- 
import pandas as pd 
import numpy as np 
import matplotlib.pyplot as plt 
from lmfit import Model 
from lmfit.models import GaussianModel 

minvalue = 3.25 
maxvalue = 3.45 

rawdata = pd.read_csv('datafile.txt', delim_whitespace = True, names=['XX','YY']) 

#Section the data 
data = rawdata[(rawdata['XX']>minvalue) & (rawdata['XX'] < maxvalue)] 

#Create a DataFrame with the data 
dataDataframe = pd.DataFrame() 
dataDataframe[0] = data['YY'] 
dataDataframe = dataDataframe.set_index(data['XX']) 

# Gaussian curve 
def gaussian(x, amp, cen, wid): 
    "1-d gaussian: gaussian(x, amp, cen, wid)" 
    return (amp/(np.sqrt(2*np.pi)*wid)) * np.exp(-(x-cen)**2 /(2*wid**2)) 

result_gaussian = Model(gaussian).fit(dataDataframe[0], x=dataDataframe.index.values, amp=5, cen=5, wid=1) 

mod = GaussianModel() 
pars = mod.guess(dataDataframe[0], x = np.float32(dataDataframe.index.values)) 
out = mod.fit(dataDataframe[0], pars , x = np.float32(dataDataframe.index.values)) 

plt.plot(dataDataframe.index.values, dataDataframe[0],'bo') 
plt.plot(dataDataframe.index.values, result_gaussian.best_fit, 'r-', label = 'Gaussian') 
plt.plot(dataDataframe.index.values, out.best_fit, 'b-', label = 'Gaussian2') 
plt.legend() 
plt.show() 

エラーメッセージ。

生データ:

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    3.5532718e+000  4.4633063e+002  
    3.5601709e+000  4.4021204e+002  
    3.5670698e+000  4.4216010e+002  
    3.5739689e+000  4.3208749e+002  
    3.5808680e+000  4.3210999e+002  
    3.5877671e+000  4.3717999e+002  
    3.5946662e+000  4.3084845e+002  
    3.6015654e+000  4.1379028e+002  
    3.6084642e+000  4.1567856e+002  
    3.6153634e+000  4.2414615e+002  
    3.6222625e+000  4.2964746e+002  
    3.6291616e+000  4.1986203e+002  
    3.6360607e+000  4.0300714e+002  
    3.6429598e+000  4.1156561e+002  
    3.6498590e+000  4.1897156e+002  
    3.6567578e+000  4.1506668e+002  
    3.6636569e+000  4.2337305e+002  
    3.6705561e+000  4.2956845e+002  
    3.6774552e+000  4.1608209e+002  
    3.6843543e+000  4.1159943e+002  
    3.6912534e+000  4.0408707e+002  
    3.6981523e+000  3.8742813e+002  
    3.7050514e+000  3.8193686e+002  
    3.7119505e+000  3.8675006e+002  
    3.7188497e+000  3.8995547e+002  
    3.7257488e+000  3.9189124e+002  
    3.7326479e+000  3.9534134e+002  
    3.7395468e+000  4.0249893e+002  
    3.7464459e+000  4.0382443e+002  
    3.7533450e+000  3.9881796e+002  
    3.7602441e+000  4.0283856e+002  
    3.7671432e+000  4.0544543e+002  
    3.7740424e+000  3.9527063e+002  
    3.7809412e+000  3.9659631e+002  
    3.7878404e+000  4.0054132e+002  
    3.7947395e+000  3.9123737e+002  
    3.8016386e+000  3.8058502e+002  
    3.8085377e+000  3.7388980e+002  
    3.8154368e+000  3.7337103e+002  
    3.8223360e+000  3.6008588e+002  
    3.8292348e+000  3.5135416e+002  
    3.8361340e+000  3.5958188e+002  
    3.8430331e+000  3.5756583e+002  
    3.8499322e+000  3.5956232e+002  
    3.8568313e+000  3.7803802e+002  
    3.8637304e+000  3.9e+002  
    3.8706293e+000  3.8674255e+002  
    3.8775284e+000  3.7771600e+002  
    3.8844275e+000  3.7648160e+002  
    3.8913267e+000  3.7692780e+002  
    3.8982258e+000  3.6927103e+002  
    3.9051249e+000  3.7007745e+002  
    3.9120238e+000  3.7482629e+002  
    3.9189229e+000  3.7230219e+002  
    3.9258220e+000  3.6110025e+002  
    3.9327211e+000  3.6490872e+002  
    3.9396203e+000  3.7283734e+002  
    3.9465194e+000  3.7933209e+002  
    3.9534183e+000  3.6968182e+002  
    3.9603174e+000  3.5532330e+002  
    3.9672165e+000  3.5889478e+002  
    3.9741156e+000  3.6407483e+002  
    3.9810147e+000  3.6295535e+002  
    3.9879138e+000  3.6387720e+002  
    3.9948130e+000  3.6416183e+002  
    4.0017118e+000  3.6089911e+002  
    4.0086112e+000  3.6826599e+002  
    4.0155101e+000  3.7570581e+002  
    4.0224090e+000  3.6361679e+002  
    4.0293083e+000  3.6003177e+002  
    4.0362072e+000  3.7528265e+002  
    4.0431066e+000  3.7368362e+002  
    4.0500054e+000  3.8174683e+002  
    4.0569048e+000  4.0386084e+002  
    4.0638037e+000  4.2738324e+002  
    4.0707026e+000  4.4587668e+002  
    4.0776019e+000  4.5433987e+002  
    4.0845008e+000  4.4404083e+002  
    4.0914001e+000  4.2589066e+002  
    4.0982990e+000  3.9662262e+002  
    4.1051979e+000  3.7311325e+002  
    4.1120973e+000  3.5790594e+002  
    4.1189961e+000  3.4554794e+002  
    4.1258955e+000  3.5435367e+002  
    4.1327944e+000  3.7766489e+002  
    4.1396937e+000  3.7425708e+002  
    4.1465926e+000  3.5805182e+002  
    4.1534915e+000  3.5078519e+002  
    4.1603909e+000  3.5888739e+002  
    4.1672897e+000  3.7242688e+002  
    4.1741891e+000  3.7792575e+002  
    4.1810880e+000  3.7338031e+002  
    4.1879873e+000  3.6538324e+002  
    4.1948862e+000  3.5872525e+002  
    4.2017851e+000  3.4688391e+002  
    4.2086844e+000  3.4881918e+002  
    4.2155833e+000  3.4818274e+002  
    4.2224827e+000  3.4055273e+002  
    4.2293816e+000  3.3977536e+002  
    4.2362804e+000  3.3322891e+002  
    4.2431798e+000  3.3594962e+002  
    4.2500787e+000  3.4658536e+002  
    4.2569780e+000  3.4479083e+002  
    4.2638769e+000  3.4267456e+002  
    4.2707763e+000  3.4828876e+002  
    4.2776752e+000  3.4845041e+002  
    4.2845740e+000  3.3986469e+002  
    4.2914734e+000  3.3093433e+002  
    4.2983723e+000  3.3255331e+002  
    4.3052716e+000  3.4089511e+002  
    4.3121705e+000  3.4742932e+002  
    4.3190699e+000  3.3570422e+002  
    4.3259687e+000  3.2636673e+002  
    4.3328676e+000  3.3228806e+002  
    4.3397670e+000  3.5141977e+002  
    4.3466659e+000  3.5683167e+002  
    4.3535652e+000  3.4719943e+002  
    4.3604641e+000  3.4054718e+002  
    4.3673630e+000  3.2842471e+002  
    4.3742623e+000  3.2503146e+002  
    4.3811612e+000  3.3431540e+002  
    4.3880606e+000  3.3462808e+002  
    4.3949594e+000  3.3529224e+002  
    4.4018588e+000  3.3313510e+002  
    4.4087577e+000  3.4015598e+002  
    4.4156566e+000  3.3703552e+002  
    4.4225559e+000  3.3024448e+002  
    4.4294548e+000  3.2974786e+002  
+0

完全な例が役立ちます。 'Model.guess'はPandasシリーズでうまく動作しない可能性があります。これらのデータをnumpy配列に明示的に変換すると、 'guess()'は動作しますか? –

+0

私はpandas.DataFrame.as_matrix関数を使用しようとします。 .pyファイルとデータファイルをどのように送信できますか?それともここに置く方がいいですか? – ShadowAkira

+0

ちょうど試しました。 DataFrame.index.valuesはすでにndarrayですので、そうではありません。残りのコードとデータはどのように共有できますか? – ShadowAkira

答えて

0

peaks.csv

#!/usr/bin/env python 
from lmfit.models import LorentzianModel 
import matplotlib.pyplot as plt 
import pandas as pd 

dframe = pd.read_csv('peak.csv') 

model = LorentzianModel() 
params = model.guess(dframe['y'], x=dframe['x']) 

result = model.fit(dframe['y'], params, x=dframe['x']) 

print(result.fit_report()) 
result.plot_fit() 
plt.show() 

ndarrayが問題を解決します:

mod = GaussianModel() 

ydata = np.array(dataDataframe[0]) 
xdata = np.array(dataDataframe.index.values) 
pars = mod.guess(ydata, x=xdata) 
out = mod.fit(ydata, pars, x=xdata) 
0

この例は、私の作品:私はパンダシリーズへの強制変換、上記のコメントで示唆したように

x,y 
0.000000, 0.021654 
0.200000, 0.385367 
0.400000, 0.193304 
0.600000, 0.103481 
0.800000, 0.404041 
1.000000, 0.212585 
1.200000, 0.253212 
1.400000, -0.037306 
1.600000, 0.271415 
1.800000, 0.025614 
2.000000, 0.066419 
2.200000, -0.034347 
2.400000, 0.153702 
2.600000, 0.161341 
2.800000, -0.097676 
3.000000, -0.061880 
3.200000, 0.085341 
3.400000, 0.083674 
3.600000, 0.190944 
3.800000, 0.222168 
4.000000, 0.214417 
4.200000, 0.341221 
4.400000, 0.634501 
4.600000, 0.302566 
4.800000, 0.101096 
5.000000, -0.106441 
5.200000, 0.567396 
5.400000, 0.531899 
5.600000, 0.459800 
5.800000, 0.646655 
6.000000, 0.662228 
6.200000, 0.820844 
6.400000, 0.947696 
6.600000, 1.541353 
6.800000, 1.763981 
7.000000, 1.846081 
7.200000, 2.986333 
7.400000, 3.182907 
7.600000, 3.786487 
7.800000, 4.822287 
8.000000, 5.739122 
8.200000, 6.744448 
8.400000, 7.295213 
8.600000, 8.737766 
8.800000, 9.693782 
9.000000, 9.894218 
9.200000, 10.193956 
9.400000, 10.091519 
9.600000, 9.652392 
9.800000, 8.670938 
10.000000, 8.004205 
10.200000, 6.773599 
10.400000, 6.076502 
10.600000, 5.127315 
10.800000, 4.303762 
11.000000, 3.426006 
11.200000, 2.416431 
11.400000, 2.311363 
11.600000, 1.748020 
11.800000, 1.135594 
12.000000, 0.888514 
12.200000, 1.030794 
12.400000, 0.543024 
12.600000, 0.767751 
12.800000, 0.657551 
13.000000, 0.495730 
13.200000, 0.447520 
13.400000, 0.173839 
13.600000, 0.256758 
13.800000, 0.596106 
14.000000, 0.065328 
14.200000, 0.197267 
14.400000, 0.260038 
14.600000, 0.460880 
14.800000, 0.335248 
15.000000, 0.295977 
15.200000, -0.010228 
15.400000, 0.138670 
15.600000, 0.192113 
15.800000, 0.304371 
16.000000, 0.442517 
16.200000, 0.164944 
16.400000, 0.001907 
16.600000, 0.207504 
16.800000, 0.012640 
17.000000, 0.090878 
17.200000, -0.222967 
17.400000, 0.391717 
17.600000, 0.180295 
17.800000, 0.206875 
18.000000, 0.240595 
18.200000, -0.037437 
18.400000, 0.139918 
18.600000, 0.012560 
18.800000, -0.053009 
19.000000, 0.226069 
19.200000, 0.076879 
19.400000, 0.078599 
19.600000, 0.016125 
19.800000, -0.071217 
20.000000, -0.091474 
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