stk package

Subpackages

• stk.databases package
  • Subpackages
    • stk.databases.mongo_db package
      • Submodules
  • Submodules
    • Constructed Molecule Database
      • Constructed Molecule MongoDB
      • ConstructedMoleculeMongoDb
    • ConstructedMoleculeDatabase
      • ConstructedMoleculeDatabase.get()
      • ConstructedMoleculeDatabase.get_all()
      • ConstructedMoleculeDatabase.put()
    • Molecule Database
      • Molecule MongoDB
      • MoleculeMongoDb
    • MoleculeDatabase
      • MoleculeDatabase.get()
      • MoleculeDatabase.get_all()
      • MoleculeDatabase.put()
    • Value Database
      • Value MongoDB
      • ValueMongoDb
    • ValueDatabase
      • ValueDatabase.get()
      • ValueDatabase.put()
• stk.ea package
  • Subpackages
    • stk.ea.crossover package
      • Subpackages
    • stk.ea.evolutionary_algorithm package
      • Subpackages
      • Submodules
    • stk.ea.fitness_calculators package
      • Submodules
    • stk.ea.fitness_normalizers package
      • Submodules
    • stk.ea.molecule_records package
      • Submodules
    • stk.ea.mutation package
      • Subpackages
    • stk.ea.plotters package
      • Plotters
      • Submodules
    • stk.ea.selection package
      • Subpackages
      • Submodules
  • Submodules
    • Generation
    • Generation
      • Generation.__init__()
      • Generation.get_crossover_records()
      • Generation.get_molecule_records()
      • Generation.get_mutation_records()
• stk.molecular package
  • Subpackages
    • stk.molecular.atoms package
      • Submodules
    • stk.molecular.bonds package
      • Submodules
    • stk.molecular.functional_groups package
      • Subpackages
    • stk.molecular.key_makers package
      • Submodules
    • stk.molecular.molecules package
      • Subpackages
      • Submodules
    • stk.molecular.reactions package
      • Subpackages
    • stk.molecular.topology_graphs package
      • Subpackages
    • stk.molecular.writers package
      • Submodules
  • Submodules
    • Periodic Info
    • PeriodicInfo
      • PeriodicInfo.__init__()
      • PeriodicInfo.clone()
      • PeriodicInfo.get_a()
      • PeriodicInfo.get_alpha()
      • PeriodicInfo.get_b()
      • PeriodicInfo.get_beta()
      • PeriodicInfo.get_c()
      • PeriodicInfo.get_cell_matrix()
      • PeriodicInfo.get_gamma()
      • PeriodicInfo.get_vector_1()
      • PeriodicInfo.get_vector_2()
      • PeriodicInfo.get_vector_3()
• stk.serialization package
  • Subpackages
    • stk.serialization.json package
      • Subpackages
• stk.utilities package
  • Submodules
    • Utilities
    • Cell
      • Cell.id
      • Cell.fgs
      • Cell.__init__()
    • ChargedMolError
      • ChargedMolError.__init__()
      • ChargedMolError.add_note()
      • ChargedMolError.args
      • ChargedMolError.with_traceback()
    • LazyAttr
      • LazyAttr.__init__()
    • MolFileError
      • MolFileError.__init__()
      • MolFileError.add_note()
      • MolFileError.args
      • MolFileError.with_traceback()
    • PopulationSizeError
      • PopulationSizeError.__init__()
      • PopulationSizeError.add_note()
      • PopulationSizeError.args
      • PopulationSizeError.with_traceback()
    • archive_output()
    • cap_absolute_value()
    • dedupe()
    • dice_similarity()
    • flatten()
    • get_acute_vector()
    • get_plane_normal()
    • get_projection()
    • kabsch()
    • matrix_centroid()
    • mol_from_mae_file()
    • normalize_vector()
    • orthogonal_vector()
    • quaternion()
    • remake()
    • rotation_matrix()
    • rotation_matrix_arbitrary_axis()
    • tar_output()
    • time_it()
    • translation_component()
    • vector_angle()