cgexplore.molecular.Conformer¶

class cgexplore.molecular.Conformer(molecule: stk._internal.molecule.Molecule, energy_decomposition: dict[str, tuple[float, str]], conformer_id: int | None = None, source: str | None = None)[source]¶

Bases: object

Methods

Attributes

`molecule`
`energy_decomposition`
`conformer_id`
`source`

Parameters:

molecule (Molecule)
energy_decomposition (dict[str, tuple[float, str]])
conformer_id (int | None)
source (str | None)

conformer_id: int | None¶

energy_decomposition: dict[str, tuple[float, str]]¶

molecule: Molecule¶

source: str | None¶