schrodinger.adapter module¶

schrodinger::adapter C++ wrappers

class schrodinger.adapter.LabelAtoms[source]¶

Bases: object

Enable = True¶

Disable = False¶

class schrodinger.adapter.Hydrogens[source]¶

Bases: object

Retain = False¶

MakeImplicit = True¶

class schrodinger.adapter.StereoChemistry[source]¶

Bases: object

Copy = True¶

Ignore = False¶

class schrodinger.adapter.Properties[source]¶

Bases: object

Copy = True¶

Ignore = False¶

class schrodinger.adapter.Coordinates[source]¶

Bases: object

Copy = True¶

Ignore = False¶

class schrodinger.adapter.Sanitize[source]¶

Bases: object

Enable = True¶

Disable = False¶

class schrodinger.adapter.Canonicalize[source]¶

Bases: object

Enable = True¶

Disable = False¶

class schrodinger.adapter.UniqueFilter[source]¶

Bases: object

Enable = True¶

Disable = False¶

class schrodinger.adapter.Generate2DCoordinates[source]¶

Bases: object

Enable = True¶

Disable = False¶

exception schrodinger.adapter.InconsistentStructureError[source]¶

Bases: ValueError

The input structure for conversion is not internally consistent

__init__(*args, **kwargs)¶

args¶

with_traceback()¶: Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.

exception schrodinger.adapter.UnsupportedStructureError[source]¶

Bases: NotImplementedError

For structures that can’t be translated between RDKit and Schrodinger yet

__init__(*args, **kwargs)¶

args¶

with_traceback()¶: Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.