mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
31 lines
572 B
Python
Executable File
31 lines
572 B
Python
Executable File
# $Id$
|
|
#
|
|
# Copyright (C) 2000-2006 greg Landrum
|
|
#
|
|
# @@ All Rights Reserved @@
|
|
#
|
|
""" Matrix operations which may or may not come in handy some day
|
|
|
|
|
|
**NOTE**: the two functions defined here have been moved to ML.Data.Stats
|
|
|
|
"""
|
|
from ML.Data import Stats
|
|
|
|
FormCovarianceMatrix = Stats.FormCovarianceMatrix
|
|
PrincipalComponents = Stats.PrincipalComponents
|
|
|
|
if __name__ == '__main__':
|
|
import sys
|
|
import files
|
|
|
|
fileN = sys.argv[1]
|
|
iV,dV = files.ReadDataFile(fileN)
|
|
eVals,eVects=PrincipalComponents(iV)
|
|
print 'eVals: ', eVals
|
|
print 'eVects:', eVects
|
|
|
|
|
|
|
|
|