drugforge.data.schema.ligand.Ligand
===================================

.. currentmodule:: drugforge.data.schema.ligand

.. autoclass:: Ligand
   :members:
   :show-inheritance:
   :inherited-members:

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~Ligand.__init__
      ~Ligand.clear_SD_data
      ~Ligand.construct
      ~Ligand.copy
      ~Ligand.data_equal
      ~Ligand.dict
      ~Ligand.from_dict
      ~Ligand.from_inchi
      ~Ligand.from_json
      ~Ligand.from_json_file
      ~Ligand.from_mol2
      ~Ligand.from_oemol
      ~Ligand.from_openfe
      ~Ligand.from_orm
      ~Ligand.from_sdf
      ~Ligand.from_sdf_str
      ~Ligand.from_single_conformers
      ~Ligand.from_smiles
      ~Ligand.full_equal
      ~Ligand.get_chemical_relationship
      ~Ligand.get_schema_version
      ~Ligand.get_single_conf_SD_data
      ~Ligand.has_same_charge
      ~Ligand.is_chemically_equal
      ~Ligand.is_protonation_state_isomer
      ~Ligand.is_stereoisomer
      ~Ligand.is_tautomer
      ~Ligand.json
      ~Ligand.model_construct
      ~Ligand.model_copy
      ~Ligand.model_dump
      ~Ligand.model_dump_json
      ~Ligand.model_json_schema
      ~Ligand.model_parametrized_name
      ~Ligand.model_post_init
      ~Ligand.model_rebuild
      ~Ligand.model_validate
      ~Ligand.model_validate_json
      ~Ligand.model_validate_strings
      ~Ligand.parse_file
      ~Ligand.parse_obj
      ~Ligand.parse_raw
      ~Ligand.print_SD_data
      ~Ligand.schema
      ~Ligand.schema_json
      ~Ligand.set_SD_data
      ~Ligand.set_expansion
      ~Ligand.sort_confs_by_sd_tag_value
      ~Ligand.to_json_file
      ~Ligand.to_oemol
      ~Ligand.to_openfe
      ~Ligand.to_rdkit
      ~Ligand.to_sdf
      ~Ligand.to_sdf_str
      ~Ligand.to_single_conformers
      ~Ligand.update_forward_refs
      ~Ligand.validate
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~Ligand.canonical_tautomer
      ~Ligand.fixed_inchi
      ~Ligand.fixed_inchikey
      ~Ligand.flattened
      ~Ligand.has_defined_stereo
      ~Ligand.has_multiple_poses
      ~Ligand.has_perceived_stereo
      ~Ligand.inchi
      ~Ligand.inchikey
      ~Ligand.model_computed_fields
      ~Ligand.model_config
      ~Ligand.model_extra
      ~Ligand.model_fields
      ~Ligand.model_fields_set
      ~Ligand.neutralized
      ~Ligand.non_iso_smiles
      ~Ligand.num_poses
      ~Ligand.size
      ~Ligand.smiles
      ~Ligand.compound_name
      ~Ligand.ids
      ~Ligand.provenance
      ~Ligand.experimental_data
      ~Ligand.expansion_tag
      ~Ligand.charge_provenance
      ~Ligand.bespoke_parameters
      ~Ligand.tags
      ~Ligand.conf_tags
      ~Ligand.data
      ~Ligand.data_format