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=0.0001) source code
 
MergeFeatPoints(fm, mergeMetric=0, mergeTol=1.5, dirMergeMode=0, mergeMethod=0, compatFunc=<function familiesMatch at 0x5040c80>)
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=0, mergeTol=1.5, dirMergeMode=0)
the parameters will be taken from fm1
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_test() source code
Variables [hide private]
  __package__ = 'rdkit.Chem.FeatMaps'

Imports: FeatMaps, copy


Function Details [hide private]

MergeFeatPoints(fm, mergeMetric=0, mergeTol=1.5, dirMergeMode=0, mergeMethod=0, compatFunc=<function familiesMatch at 0x5040c80>)

source code 


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