質問編集履歴
2
誤字
title
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File without changes
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body
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@@ -17,18 +17,20 @@
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17
17
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よいでしょうか？
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18
18
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このようなプログラムを書きましたがうまくいきませんでした。
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19
19
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20
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+
```
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20
21
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name = [""]*line_number
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21
22
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xxx_coord = [0.0]*line_number
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22
23
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yyy_coord = [0.0]*line_number
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23
24
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zzz_coord = [0.0]*line_number
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24
25
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26
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+
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25
27
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for k in range(atom_number):
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26
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-
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28
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+
line = input_file.readline()
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27
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-
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29
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+
items = line.split()
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28
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-
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30
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+
atom_name[k] = items[0]
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29
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-
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31
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+
xxx_coord[k] = float( items[1] )
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30
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-
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32
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+
yyy_coord[k] = float( items[2] )
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31
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-
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33
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+
zzz_coord[k] = float( items[3] )
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32
34
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k =+ 1
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33
35
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34
36
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for i in range(line_number):
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@@ -45,6 +47,7 @@
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45
47
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46
48
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r = math.sqrt( square_r )
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47
49
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50
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+
```
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48
51
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49
52
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50
53
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あくまで、if文を使用して計算を行いたいです。
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1
修正
title
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File without changes
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body
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@@ -33,10 +33,10 @@
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33
33
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34
34
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for i in range(line_number):
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35
35
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if name == "C":
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36
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-
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36
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+
continue
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37
37
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for j in range(line_number):
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38
38
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if atom_name == "C":
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39
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-
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39
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+
continue
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40
40
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dx = xxx_coord[i] - xxx_coord[j]
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41
41
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dy = yyy_coord[i] - yyy_coord[j]
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42
42
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dz = zzz_coord[i] - zzz_coord[j]
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