creted methods for carrying out the comparison between the polynomial fits for...
creted methods for carrying out the comparison between the polynomial fits for different solvation energies from different solvents. this is using both the RMSD between the curves, and the Hausdorff distance.
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- solventmapcreator/polynomialanalysis/polynomialcomparison.py 107 additions, 0 deletionssolventmapcreator/polynomialanalysis/polynomialcomparison.py
- solventmapcreator/test/polynomialanalysistest/polynomialcomparisontest.py 118 additions, 0 deletions...r/test/polynomialanalysistest/polynomialcomparisontest.py
- solventmapcreator/test/solvationmapcreatortests.py 3 additions, 1 deletionsolventmapcreator/test/solvationmapcreatortests.py
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