rdkit.ML.MLUtils.VoteImg module

functionality for generating an image showing the results of a composite model voting on a data set

Uses Numeric and PIL

rdkit.ML.MLUtils.VoteImg.BuildVoteImage(nModels, data, values, trueValues=[], sortTrueVals=0, xScale=10, yScale=2, addLine=1)

constructs the actual image

Arguments

  • nModels: the number of models in the composite

  • data: the results of voting

  • values: predicted values for each example

  • trueValues: true values for each example

  • sortTrueVals: if nonzero the votes will be sorted so that the _trueValues_ are in order, otherwise the sort is by _values_

  • xScale: number of pixels per vote in the x direction

  • yScale: number of pixels per example in the y direction

  • addLine: if nonzero, a purple line is drawn separating

    the votes from the examples

Returns

a PIL image

rdkit.ML.MLUtils.VoteImg.CollectVotes(composite, data, badOnly)

collects the votes from _composite_ for the examples in _data_

Arguments

  • composite: a composite model

  • data: a list of examples to run through _composite_

  • badOnly: if set only bad (misclassified) examples will be kept

Returns

a 4-tuple containing:

  1. the expanded list of vote details (see below)

  2. the list of predicted results

  3. the list of true results

  4. the number of miscounted examples

Notes

pp - the expanded list of vote details consists of:

‘[ vote1, vote2, … voteN, 0, res, trueRes]’

where _res_ is the predicted results and _trueRes_ is the actual result. The extra zero is included to allow a line to be drawn between the votes and the results.

rdkit.ML.MLUtils.VoteImg.Usage()

provides a list of arguments for when this is used from the command line

rdkit.ML.MLUtils.VoteImg.VoteAndBuildImage(composite, data, badOnly=0, sortTrueVals=0, xScale=10, yScale=2, addLine=1)

collects votes on the examples and constructs an image

Arguments

  • composte: a composite model

  • data: the examples to be voted upon

  • badOnly: if nonzero only the incorrect votes will be shown

  • sortTrueVals: if nonzero the votes will be sorted so that the _trueValues_ are in order, otherwise the sort is by _values_

  • xScale: number of pixels per vote in the x direction

  • yScale: number of pixels per example in the y direction

  • addLine: if nonzero, a purple line is drawn separating

    the votes from the examples

Returns

a PIL image