stk
===

.. automodule:: stk

   
   
   .. rubric:: Module attributes

   .. autosummary::
      :toctree:
   
      BatchKey
   
   

   
   
   .. rubric:: Functions

   .. autosummary::
      :toctree:
      :nosignatures:
   
      get_acute_vector
      normalize_vector
      rotation_matrix_arbitrary_axis
      vector_angle
   
   

   
   
   .. rubric:: Classes

   .. autosummary::
      :toctree:
      :template: class.rst
      :nosignatures:
   
      AboveAverage
      Ac
      Add
      Ag
      Al
      Alcohol
      AlcoholFactory
      Aldehyde
      AldehydeFactory
      Alkene
      Alkyne
      Am
      Amide
      AmideFactory
      Ar
      As
      At
      Atom
      AtomInfo
      Au
      B
      Ba
      Batch
      Be
      Best
      Bh
      Bi
      Bk
      Bond
      BondInfo
      BoronicAcid
      BoronicAcidFactory
      Br
      Bromo
      BromoFactory
      BuildingBlock
      C
      Ca
      CarboxylicAcid
      CarboxylicAcidFactory
      Cd
      Ce
      Cf
      Cl
      Cm
      Cn
      Co
      Collapser
      ConstructedMolecule
      ConstructedMoleculeDatabase
      ConstructedMoleculeDejsonizer
      ConstructedMoleculeJsonizer
      ConstructedMoleculeMongoDb
      ConstructionResult
      ConstructionState
      Cr
      CrossoverRecord
      Cs
      Cu
      DativeReaction
      DativeReactionFactory
      Db
      Dibromo
      DibromoFactory
      Difluoro
      DifluoroFactory
      Diol
      DiolFactory
      DivideByMean
      Ds
      Dy
      Edge
      EdgeGroup
      Er
      Es
      Eu
      EvolutionaryAlgorithm
      F
      Fe
      FilterBatches
      FilterMolecules
      FitnessCalculator
      FitnessFunction
      FitnessNormalizer
      FitnessValues
      Fl
      Fluoro
      FluoroFactory
      Fm
      Fr
      FunctionalGroup
      FunctionalGroupFactory
      Ga
      Gd
      Ge
      Generation
      GenericFunctionalGroup
      GenericReactionFactory
      GeneticRecombination
      GraphState
      H
      He
      Hf
      Hg
      Ho
      Hs
      I
      In
      Inchi
      InchiKey
      Iodo
      IodoFactory
      Ir
      K
      Kr
      La
      Li
      Lr
      Lu
      Lv
      MCHammer
      Mc
      Md
      Mg
      Mn
      Mo
      MolWriter
      Molecule
      MoleculeCrosser
      MoleculeDatabase
      MoleculeDejsonizer
      MoleculeJsonizer
      MoleculeKeyMaker
      MoleculeMongoDb
      MoleculeMutator
      MoleculeRecord
      MoleculeState
      Mt
      Multiply
      MutationRecord
      N
      Na
      Nb
      Nd
      Ne
      Nh
      Ni
      No
      NormalizerSequence
      Np
      NullFitnessNormalizer
      NullOptimizer
      O
      Og
      OneOneReaction
      OneTwoReaction
      Optimizer
      Os
      P
      Pa
      Pb
      Pd
      PdbWriter
      PeriodicCollapser
      PeriodicInfo
      Pm
      Po
      Power
      Pr
      PrimaryAmino
      PrimaryAminoFactory
      ProgressPlotter
      PropertyVector
      Pt
      Pu
      Ra
      RandomBuildingBlock
      RandomCrosser
      RandomMutator
      RandomTopologyGraph
      Rb
      Re
      Reaction
      ReactionFactory
      ReactionResult
      RemoveBatches
      RemoveMolecules
      ReplaceFitness
      Rf
      Rg
      Rh
      RingAmine
      RingAmineFactory
      RingAmineReaction
      Rn
      Roulette
      Ru
      S
      Sb
      Sc
      Se
      SecondaryAmino
      SecondaryAminoFactory
      SelectionPlotter
      Selector
      Sg
      ShiftUp
      Si
      SimilarBuildingBlock
      SingleAtom
      Sm
      SmartsFunctionalGroupFactory
      Smiles
      Sn
      Spinner
      Sr
      StochasticUniversalSampling
      Sum
      Ta
      Tb
      Tc
      Te
      TerminalAlkeneFactory
      TerminalAlkyneFactory
      Th
      Thioacid
      ThioacidFactory
      Thiol
      ThiolFactory
      Ti
      Tl
      Tm
      TopologyGraph
      Tournament
      Ts
      TurbomoleWriter
      TwoTwoReaction
      U
      V
      ValueDatabase
      ValueMongoDb
      Vertex
      W
      Worst
      Xe
      XyzWriter
      Y
      Yb
      Zn
      Zr
   
   

   
   
   



.. rubric:: Modules

.. autosummary::
   :toctree:
   :template: module.rst
   :recursive:

   cage
   cof
   host_guest
   macrocycle
   metal_complex
   polymer
   rotaxane
   small