polymerist.rdutils.rdprops

For assigning, transferring, and removing properties of RDKit objects

Submodules

`detailed_rdobj_info`(→ dict[str, Any])	Extract all get-able info about a particular RDKit atom. Does NOT include any non-default Prop values (e.g. atomMapNumber)
`copy_rdobj_props`(→ None)	For copying properties between a pair of RDKit Atoms or Mols
`assign_props_from_dict`(→ None)	Copies all attributes from a strng-keyed dictionary of properties as Props of an RDKit object

polymerist.rdutils.rdprops.detailed_rdobj_info(rdobj: RDObj) → dict[str, Any][source]: Extract all get-able info about a particular RDKit atom. Does NOT include any non-default Prop values (e.g. atomMapNumber)

polymerist.rdutils.rdprops.copy_rdobj_props(from_rdobj: RDObj, to_rdobj: RDObj) → None[source]: For copying properties between a pair of RDKit Atoms or Mols

polymerist.rdutils.rdprops.assign_props_from_dict(prop_dict: dict[str, Any], rdobj: RDObj, preserve_type: bool = True) → None[source]: Copies all attributes from a strng-keyed dictionary of properties as Props of an RDKit object