Package rdkit :: Package Chem :: Package FeatMaps :: Module FeatMapUtils

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# Module FeatMapUtils

source code

Classes | [hide private]

| MergeMethod
| MergeMetric
| DirMergeMode

Functions | [hide private]

__copyAll(res, fm1, fm2) no user-serviceable parts inside | source code

GetFeatFeatDistMatrix(fm, mergeMetric, mergeTol, dirMergeMode, compatFunc) NOTE that mergeTol is a max value for merging when using distance-based merging and a min value when using score-based merging. | source code

familiesMatch(f1, f2) | source code

feq(v1, v2, tol=1e-4) | source code

MergeFeatPoints(fm, mergeMetric=MergeMetric.NoMerge, mergeTol=1.5, dirMergeMode=DirMergeMode.NoMerge, mergeMethod=MergeMethod.WeightedAverage, compatFunc=familiesMatch) NOTE that mergeTol is a max value for merging when using distance-based merging and a min value when using score-based merging. | source code

CombineFeatMaps(fm1, fm2, mergeMetric=MergeMetric.NoMerge, mergeTol=1.5, dirMergeMode=DirMergeMode.NoMerge) the parameters will be taken from fm1 | source code

_test() | source code

Imports: copy, range, FeatMaps

Function Details | [hide private]

### MergeFeatPoints(fm, mergeMetric=MergeMetric.NoMerge, mergeTol=1.5, dirMergeMode=DirMergeMode.NoMerge, mergeMethod=MergeMethod.WeightedAverage, compatFunc=familiesMatch)

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    NOTE that mergeTol is a max value for merging when using distance-based
    merging and a min value when using score-based merging.

    returns whether or not any points were actually merged