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11 """ Matrix operations which may or may not come in handy some day
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14 **NOTE**: the two functions defined here have been moved to ML.Data.Stats
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16 """
17 from __future__ import print_function
18 from rdkit.ML.Data import Stats
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20 FormCovarianceMatrix = Stats.FormCovarianceMatrix
21 PrincipalComponents = Stats.PrincipalComponents
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23 if __name__ == '__main__':
24 import sys
25 import files
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27 fileN = sys.argv[1]
28 iV,dV = files.ReadDataFile(fileN)
29 eVals,eVects=PrincipalComponents(iV)
30 print('eVals: ', eVals)
31 print('eVects:', eVects)
32