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Fix bug in deisotoper #66

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LucasSchmidt97 opened this issue Nov 16, 2017 · 3 comments
Closed

Fix bug in deisotoper #66

LucasSchmidt97 opened this issue Nov 16, 2017 · 3 comments
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bug Java

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@LucasSchmidt97
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(2) [ 642.572 643.569 ]
(9) [ 643.569 644.557 ]
Output Peaklist:
642.572 17000.0
643.054 25000.0
643.569 12000.0
643.569 12000.0
644.062 9000.0
644.557 4000.0

(1) [ 642.572 643.054 643.569 ]
(9) [ 643.569 644.557 ]
Output Peaklist:
642.572 17000.0
643.054 25000.0
643.569 12000.0
643.569 12000.0
644.062 9000.0
644.557 4000.0

(0) [ 642.572 643.054 ]
(9) [ 643.569 644.557 ]
Output Peaklist:
642.572 17000.0
643.054 25000.0
643.569 12000.0
644.062 9000.0
644.557 4000.0

Same input, different output.

Why?
How to fix?
@LucasSchmidt97 LucasSchmidt97 self-assigned this Nov 16, 2017
@LucasSchmidt97
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(0) [ 642.572 643.054 ]
(1) [ 642.572 643.054 643.569 ]
(2) [ 642.572 643.569 ]
(3) [ 642.572 643.569 644.557 ]
(4) [ 643.054 643.569 ]
(5) [ 643.054 643.569 644.062 ]
(6) [ 643.054 644.062 ]
(7) [ 643.569 644.062 ]
(8) [ 643.569 644.062 644.557 ]
(9) [ 643.569 644.557 ]
(10) [ 644.062 644.557 ]
bp (2) [ 642.572 643.569 ]
bp (9) [ 643.569 644.557 ]
Output Peaklist:
642.572 17000.0
643.054 25000.0
643.569 12000.0
643.569 12000.0
644.062 9000.0
644.557 4000.0

(0) [ 642.572 643.054 ]
(1) [ 642.572 643.054 643.569 ]
(2) [ 642.572 643.569 ]
(3) [ 642.572 643.569 644.557 ]
(4) [ 643.054 643.569 ]
(5) [ 643.054 643.569 644.062 ]
(6) [ 643.054 644.062 ]
(7) [ 643.569 644.062 ]
(8) [ 643.569 644.062 644.557 ]
(9) [ 643.569 644.557 ]
(10) [ 644.062 644.557 ]
bp (1) [ 642.572 643.054 643.569 ]
bp (9) [ 643.569 644.557 ]
Output Peaklist:
642.572 17000.0
643.054 25000.0
643.569 12000.0
643.569 12000.0
644.062 9000.0
644.557 4000.0

(0) [ 642.572 643.054 ]
(1) [ 642.572 643.054 643.569 ]
(2) [ 642.572 643.569 ]
(3) [ 642.572 643.569 644.557 ]
(4) [ 643.054 643.569 ]
(5) [ 643.054 643.569 644.062 ]
(6) [ 643.054 644.062 ]
(7) [ 643.569 644.062 ]
(8) [ 643.569 644.062 644.557 ]
(9) [ 643.569 644.557 ]
(10) [ 644.062 644.557 ]
bp (0) [ 642.572 643.054 ]
bp (9) [ 643.569 644.557 ]
Output Peaklist:
642.572 17000.0
643.054 25000.0
643.569 12000.0
644.062 9000.0
644.557 4000.0

@LucasSchmidt97
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LucasSchmidt97 commented Nov 17, 2017 •
edited
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Bug might be in bestPath ...

Update: Bug is caused by scoring, the input doesn't get scored (every path has score 1), the test data is causing this.

@LucasSchmidt97
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Isn't a real bug, the input data is just not correct.

@LucasSchmidt97 LucasSchmidt97 mentioned this issue Nov 20, 2017
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