polymon.estimator ========================= .. automodule:: polymon.estimator :members: :show-inheritance: :undoc-members: Available Estimators -------------------- .. list-table:: Available Estimators in ``polymon.estimator`` :header-rows: 1 * - Estimator Type - Class Name - Description * - ``atom_contrib`` - :ref:`AtomContribEstimator ` - Atom contribution estimator * - ``Density`` - :ref:`DensityEstimator ` - Density estimator * - ``Density-IBM`` - :ref:`DensityIBMEstimator ` - Density estimator (IBM) * - ``Density-Fedors`` - :ref:`DensityFedorsEstimator ` - Density estimator (Fedors) * - ``LowFidelity`` - :ref:`LowFidelityEstimator ` - Low fidelity estimator * - ``ml`` - :ref:`MLEstimator ` - Machine learning estimator * - ``NxRg`` - :ref:`NxRgEstimator ` - Rg estimator (NetworkX) * - ``rg`` - :ref:`RgEstimator ` - Rg estimator (DFS) .. _estimator-atom_contrib: Atom Contribution Estimator ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. autoclass:: polymon.estimator.atom_contrib.AtomContribEstimator :members: :show-inheritance: :undoc-members: .. _estimator-density: Density Estimator (van der Waals) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. autoclass:: polymon.estimator.density.DensityEstimator :members: :show-inheritance: :undoc-members: .. _estimator-density_fedors: Density Estimator (Fedors) ^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. autoclass:: polymon.estimator.density_Fedors.DensityFedorsEstimator :members: :show-inheritance: :undoc-members: .. _estimator-density_ibm: Density Estimator (IBM) ^^^^^^^^^^^^^^^^^^^^^^^ .. autoclass:: polymon.estimator.density_ibm.DensityIBMEstimator :members: :show-inheritance: :undoc-members: .. _estimator-low_fidelity: Low Fidelity Estimator ^^^^^^^^^^^^^^^^^^^^^^ .. autoclass:: polymon.estimator.low_fidelity.LowFidelityEstimator :members: :show-inheritance: :undoc-members: .. _estimator-ml: Machine Learning Estimator ^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. autoclass:: polymon.estimator.ml.MLEstimator :members: :show-inheritance: :undoc-members: .. _estimator-nx_rg: Rg Estimator (NetworkX) ^^^^^^^^^^^^^^^^^^^^^^^ .. autoclass:: polymon.estimator.nx_rg.NxRgEstimator :members: :show-inheritance: :undoc-members: .. _estimator-rg: Rg Estimator (DFS) ^^^^^^^^^^^^^^^^^^ .. autoclass:: polymon.estimator.rg.RgEstimator :members: :show-inheritance: :undoc-members: