mordred.Framework module¶

class mordred.Framework.Framework[source]¶

Bases: mordred._base.descriptor.Descriptor

molecular framework ratio descriptor.

\[f_{\rm MF} = \frac{N_{\rm MF}}{N}\]

where \(N_{\rm MF}\) is number of atoms in molecular framework, \(N\) is number of all atoms.

References

• [BM96]

parameters()[source]¶

rtype¶

alias of float

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = True¶

fail(exception)¶

raise known exception and return missing value

kekulize = False¶

mol¶

get molecule

require_3D = False¶

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception