updating kd script to take command line args
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2 changed files with 26 additions and 17 deletions
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@ -123,10 +123,13 @@ min(dfVals['kd_values'])
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#===================
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# concatenating dfs
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#===================
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# Merge the two on index (as these are now reflective of the aa position numbers): df1 and df2
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# This will introduce NaN where there is missing values. In our case this will be 2 (first and last ones)
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# Conveniently, the last position in this case is not part of the struc, so not much loss of info
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# Needless to state that this will be variable for other targets.
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# Merge the two on index
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# (as these are now reflective of the aa position numbers): df1 and df2
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# This will introduce NaN where there is missing values. In our case this
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# will be 2 (first and last ones based on window size and offset)
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# In our case this will be 2 (first and last ones)
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# For pnca: the last position is not part of the struc, so not info loss
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# Needless to say that this will be variable for other targets.
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kd_df = pd.concat([dfSeq, dfVals], axis = 1)
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